AG00ALZI

154257-81-5 | 5-Chloro-2-Methyl-3-nitro-benzoic acid

AG00ALZI

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CAS Number	154257-81-5
Catalog Number	AG00ALZI(AGN-PC-03XBZC)
Chemical Name	5-Chloro-2-Methyl-3-nitro-benzoic acid
IUPAC Name	5-chloro-2-methyl-3-nitrobenzoic acid
InChI	InChI=1S/C8H6ClNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key	KSLZRIXXMKXDEO-UHFFFAOYSA-N
MDL Number	MFCD09036377
Molecular Formula	C8H6ClNO4
Molecular Weight	215.5905
SMILES	O=C(O)C1=CC(Cl)=CC([N+]([O-])=O)=C1C
Synonyms	5-Chloro-2-methyl-3-nitrobenzoic acid, 154257-81-5, Intermediates-ZCF02175, SCHEMBL2049036, KSLZRIXXMKXDEO-UHFFFAOYSA-N, MFCD09036377, ZINC95845580, AKOS004120997, CM12595, 5-Chloro-2-Methyl-3-nitro-benzoic acid, PS-10525, AJ-135223, Benzoic acid, 5-chloro-2-methyl-3-nitro-, CS-0047090,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.999g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.589g/mol
Monoisotopic Mass	214.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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