![Chemical structure of 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, CAS 13710-19-5](https://api.angenesci.com/structure/883/13710-19-5.png)
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| CAS Number | 13710-19-5 |
| Catalog Number | AG003SAR(AGN-PC-0JTR5Q) |
| Chemical Name | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid |
| EC Number | 237-264-3 |
| IUPAC Name | 2-(3-chloro-2-methylanilino)benzoic acid |
| InChI | InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18) |
| InChI Key | YEZNLOUZAIOMLT-UHFFFAOYSA-N |
| MDL Number | MFCD00133865 |
| Molecular Formula | C14H12ClNO2 |
| Molecular Weight | 261.7036 |
| NSC Number | 757873 |
| SMILES | O=C(O)C1=CC=CC=C1NC2=CC=CC(Cl)=C2C |
| UNII | 3G943U18KM |
| Synonyms | Bifenac,
Clotam,
GEA 6414,
N-(3-chloro-2-methylphenyl)anthranilic acid,
N-(3-chloro-o-tolyl)anthranilic acid,
Rociclyn,
tolfenamic acid,
tolfenamic acid,
13710-19-5,
Clotam,
Tolfedine,
N-(3-Chloro-2-methylphenyl)anthranilic acid,
2-[(3-Chloro-2-methylphenyl)amino]benzoic Acid,
Acido tolfenamico,
Acide tolfenamique,
Acidum tolfenamicum,
GEA 6414,
N-(2-Methyl-3-chlorophenyl)anthranilic acid,
UNII-3G943U18KM,
N-(3-Chloro-o-tolyl)-anthranilic acid,
2-(3-Chloro-2-methylanilino)benzoic acid,
Benzoic acid, 2-[(3-chloro-2-methylphenyl)amino]-,
Anthranilic acid, N-(3-chloro-o-tolyl)-,
CHEBI:32243,
3G943U18KM,
NCGC00016705-05,
Bifenac,
CAS-13710-19-5,
2-(3-chloro-2-methylphenylamino)benzoic acid,
2-((3-Chloro-2-methylphenyl)amino)benzoic acid,
DSSTox_CID_25409,
DSSTox_RID_80860,
DSSTox_GSID_45409,
Tolfine,
2-([3-Chloro-2-methylphenyl]amino)benzoic acid,
SR-01000000102,
Tolfenamic,
tolfenamic-acid,
Prestwick_579,
Clotam (TN),
Spectrum_001263,
ACMC-209cat,
Tolfenamic acid, NSAID,
AC1LD1MD,
Prestwick0_000205,
Prestwick1_000205,
Prestwick2_000205,
Prestwick3_000205,
Spectrum2_001446,
Spectrum3_001762,
Spectrum4_000238,
Spectrum5_001143,
AC1Q2F9Y,
Oprea1_692996,
SCHEMBL25190,
Tolfenamic acid (JAN/INN),
BSPBio_000189,
BSPBio_003223,
KBioGR_000935,
KBioSS_001743,
flufenamic acid analogue, 32,
MLS000028531,
BIDD:GT0343,
SPECTRUM1501198,
SPBio_001311,
SPBio_002110,
BPBio1_000209,
CHEMBL121626,
cid_610479,
GTPL8769,
ZINC2188,
DTXSID1045409,
BDBM35905,
KBio2_001743,
KBio2_004311,
KBio2_006879,
KBio3_002723,
YEZNLOUZAIOMLT-UHFFFAOYSA-,
YEZNLOUZAIOMLT-UHFFFAOYSA-N,
HMS1568J11,
HMS1921P13,
HMS2090D04,
HMS2095J11,
HMS2230J13,
HMS3370A02,
HMS3651E06,
HMS3712J11,
Pharmakon1600-01501198,
HY-B0335,
KS-00000H6I,
Tox21_110570,
ANW-20211,
CCG-39189,
MFCD00133865,
NSC757873,
s1959,
SBB058187,
AKOS012836098,
Tox21_110570_1,
2-(3-Chloro-o-toluidino)benzoic Acid,
API0002084,
CS-2377,
DB09216,
MCULE-9901889833,
NSC-757873,
SEL10850963,
2(3-Chloro-2-methylanilino)benzoic acid,
NCGC00016705-01,
NCGC00016705-02,
NCGC00016705-03,
NCGC00016705-04,
NCGC00016705-06,
NCGC00016705-07,
NCGC00016705-10,
NCGC00022587-03,
NCGC00022587-04,
NCGC00022587-05,
AK305709,
AS-13748,
BC218925,
DA-11289,
n-(3-chloro-ortho-tolyl)anthranilic acid,
SMR000058289,
SBI-0051687.P002,
AB0032595,
AB2000392,
TC-108956,
2-(3-Chloro-2-methylanilino)benzoic acid #,
AB00052244,
FT-0652603,
ST51015128,
SW196753-3,
UNM000001237003,
X5948,
D01183,
J10240,
AB00052244-15,
AB00052244_16,
AB00052244_17,
A807198,
Benzoic acid, 2-(3-chloro-2-methylphenylamino)-,
2-[(3-chloranyl-2-methyl-phenyl)amino]benzoic acid,
J-006962,
SR-01000000102-2,
SR-01000000102-3,
Tolfenamic acid, VETRANAL(TM), analytical standard,
BRD-K50133271-001-05-4,
BRD-K50133271-001-10-4,
Benzoic acid, 2-((3-chloro-2-methylphenyl)amino)- (9CI),
Tolfenamic acid, European Pharmacopoeia (EP) Reference Standard,
Tolfenamic Acid, Pharmaceutical Secondary Standard; Certified Reference Material,
InChI=1/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18),
null,
Rociclyn,
C14H12ClNO2,
Acide tolfenamique [INN-French],
Acido tolfenamico [INN-Spanish],
Acidum tolfenamicum [INN-Latin],
Tolfenamic acid [INN:BAN:JAN],
N-(3-Chloro-o-tolyl)anthranilic acid,
C14-H12-Cl-N-O2,
EINECS 237-264-3,
Tolfenamic acid [BAN:INN:JAN],
BRN 0657821,
CID610479,
N-(3-Chloro-ortho-tolyl) anthranilic acid,
B1455,
C2064,
A11693,
2-[(4-chloro-3-methylphenyl)amino]benzoic acid,
C009500,
Benzoic acid, 2-((3-chloro-2-methylphenyl)amino)-,
TlF,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.705g/mol |
| Monoisotopic Mass | 261.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H317-H319 |
| Packing Group | Ⅲ |
| Precautionary statements | P280-P305+P351+P338 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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| Test: | Result: |

