AG0027FB

183237-86-7 | Benzoic acid, 4,5-difluoro-2-methyl-

AG0027FB

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CAS Number	183237-86-7
Catalog Number	AG0027FB(AGN-PC-01LXYT)
Chemical Name	Benzoic acid, 4,5-difluoro-2-methyl-
IUPAC Name	4,5-difluoro-2-methylbenzoic acid
InChI	InChI=1S/C8H6F2O2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	LDMHYYGJZWDBQL-UHFFFAOYSA-N
MDL Number	MFCD08062377
Molecular Formula	C8H6F2O2
Molecular Weight	172.1288
SMILES	CC1=C(C=C(F)C(F)=C1)C(O)=O
Synonyms	4,5-Difluoro-2-methylbenzoic acid, 183237-86-7, 4,5-Difluoro-2-methylbenzoicacid, 3,4-Difluoro-6-methylbenzoic acid, MFCD08062377, Benzoic acid, 4,5-difluoro-2-methyl-, AK-87087, PubChem8243, ACMC-1BXOA, SCHEMBL27887, KSC495O4B, CTK3J5740, KS-00000CSC, DTXSID50590865, LDMHYYGJZWDBQL-UHFFFAOYSA-N, ZX-AP001714, 4,5-DIFLUORO-O-TOLUIC ACID, 4,5-difluoro-2-methyl-benzoic acid, ANW-58186, BBL101235, FCH920218, PC7873, SBB065043, STL555031, ZINC12359154, AKOS005257585, 2-CARBOXY-4,5-DIFLUOROTOLUENE, AM61361, AS05008, CS-W017619, LF10825, QC-7735, SS-4656, TRA0047386, VZ27564, AC-25589, ACM183237867, AJ-61388, AN-30555, SY018280, 2-METHYL-4,5-DIFLUOROBENZOIC ACID, AB0065279, AX8041393, RT-002675, TL8001472, A4053, FT-0653240, 4,5-difluoro-2-methylbenzoic acid, AldrichCPR, Z-4436, MFCD08062377 (97+%), I01-6795, 2-carboxy-4,5-difluorotoluene, 4,5-difluoro-o-toluic acid, ACN-046861, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.034g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.131g/mol
Monoisotopic Mass	172.034g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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