AG0033O5

56961-33-2 | 3-Chloro-5-methylbenzoic acid

AG0033O5

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CAS Number	56961-33-2
Catalog Number	AG0033O5(AGN-PC-00NH5L)
Chemical Name	3-Chloro-5-methylbenzoic acid
IUPAC Name	3-chloro-5-methylbenzoic acid
InChI	InChI=1S/C8H7ClO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)
InChI Key	MZUIOLZHUUHESU-UHFFFAOYSA-N
MDL Number	MFCD11007823
Molecular Formula	C8H7ClO2
Molecular Weight	170.5930
SMILES	ClC=1C=C(C(=O)O)C=C(C1)C
Synonyms	3-Chloro-5-methylbenzoic acid, 56961-33-2, Benzoic acid, 3-chloro-5-methyl-, 3-CHLORO-5-METHYL-BENZOIC ACID, 3-Chloro-5-methylbenzoicAcid, AMBZ0036, SCHEMBL2172133, CTK8B6098, DTXSID60545482, MZUIOLZHUUHESU-UHFFFAOYSA-N, BCP24560, KS-00000CV9, ANW-52533, MFCD11007823, ZINC34110817, AKOS006305376, AB62676, AM61594, CS-W003746, FS-2207, MCULE-9587819616, TRA0093756, AJ-86991, AK-75961, SY023243, AB0049102, AB1006244, DB-011410, ST2410635, TC-141278, 4CH-011074, FT-0739481, Z4893, MFCD11007823 (95%), M-8900, Z1695797896, null, C8H7ClO2, 3-CHLORO-5-METHYL-BENZOICACID,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.013g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.592g/mol
Monoisotopic Mass	170.013g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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

Lot Number