AG004A4C

88-86-8 | 2,5-Dichloro-3-nitrobenzoic acid

AG004A4C

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CAS Number	88-86-8
Catalog Number	AG004A4C(AGN-PC-0JK7U2)
Chemical Name	2,5-Dichloro-3-nitrobenzoic acid
EC Number	201-862-2
IUPAC Name	2,5-dichloro-3-nitrobenzoic acid
InChI	InChI=1S/C7H3Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12)
InChI Key	AUAXYMOBWXOEQD-UHFFFAOYSA-N
MDL Number	MFCD00014691
Molecular Formula	C7H3Cl2NO4
Molecular Weight	236.0090
SMILES	O=C(O)C1=CC(Cl)=CC([N+]([O-])=O)=C1Cl
UNII	5RXK12D272
Synonyms	2,5-Dichloro-3-nitrobenzoic acid, 88-86-8, DINOBEN, Benzoic acid, 2,5-dichloro-3-nitro-, Caswell No. 312, 3-Nitro-2,5-dichlorobenzoic acid, UNII-5RXK12D272, EINECS 201-862-2, Kyselina 2,5-dichlor-3-nitrobenzoova, EPA Pesticide Chemical Code 028101, BRN 1976119, Kyselina 2,5-dichlor-3-nitrobenzoova [Czech], AUAXYMOBWXOEQD-UHFFFAOYSA-N, 5RXK12D272, 2,5-dichloro-3-nitro-benzoic acid, MFCD00014691, 3-(4-6-dimethoxy-1,3,5-triazin-2-yl)-1-[2-(2-methoxyethoxy)-phenylsulfonyl]-urea, PubChem2207, dinoben:2,5-dichloro-3-nitrobenzoic acid, AC1L1NNY, AC1Q5APG, AC1Q72ZI, DSSTox_CID_21372, DSSTox_RID_79706, DSSTox_GSID_41372, 2-09-00-00276 (Beilstein Handbook Reference), SCHEMBL1494608, CHEMBL2260701, DTXSID3041372, CTK5G1963, ZINC56966, Tox21_300775, 2100AF, SBB003246, STK377468, Benzoic acid,2,5-dichloro-3-nitro-, AKOS005449158, FS-4981, MCULE-7365025433, VZ22711, CAS-88-86-8, NCGC00248165-01, NCGC00254679-01, 2,5-Dichloro-3-nitrobenzoic acid, 98%, AC-19976, AJ-09515, AN-42449, LS-36886, SC-07187, ST060232, DB-020042, TR-027952, TR-029554, 4CH-024966, FT-0610288, ST24038722, Y-9391, 014D691, InChI=1/C7H3Cl2NO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12, BETP, C7H3Cl2NO4, 2,5-dichlor-3-nitrobenzoesyre, 2,5-Dichloro-4-nitrobenzoic acid, C7-H3-Cl2-N-O4, 2,5-Dichloro-3-nitrobenzoicacid, CID6951, AR-1D4224, 94593-91-6, 1371569-69-5,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.944g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.004g/mol
Monoisotopic Mass	234.944g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H303-H315-H319-H335
Precuationary statements	P280a-P304+P340-P405-P501a-P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number