AG00IDQZ

857005-81-3 | 2-Amino-6-chloro-3-methylbenzoic Acid

AG00IDQZ

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CAS Number	857005-81-3
Catalog Number	AG00IDQZ(AGN-PC-05FBEH)
Chemical Name	2-Amino-6-chloro-3-methylbenzoic Acid
IUPAC Name	2-amino-6-chloro-3-methylbenzoic acid
InChI	InChI=1S/C8H8ClNO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key	QIZZHPAEYROYKH-UHFFFAOYSA-N
MDL Number	MFCD06409109
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	O=C(O)C1=C(Cl)C=CC(C)=C1N
Synonyms	2-amino-6-chloro-3-methylbenzoic acid, 857005-81-3, SCHEMBL950473, 5456AJ, ZINC20362719, AKOS005133216, MCULE-1303626408, NE25370, RP24573, SY015358, TC-307025, MFCD06409109 (95%), 2-amino-6-chloro-3-methylbenzoic acid, AldrichCPR, Z228589694, C8H8ClNO2, 128811-48-3,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.024g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.607g/mol
Monoisotopic Mass	185.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^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-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number