AG000TQK

129833-28-9 | Benzoic acid, 2-amino-4-fluoro-3-methyl-

AG000TQK

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CAS Number	129833-28-9
Catalog Number	AG000TQK(AGN-PC-002WUZ)
Chemical Name	Benzoic acid, 2-amino-4-fluoro-3-methyl-
IUPAC Name	2-amino-4-fluoro-3-methylbenzoic acid
InChI	InChI=1S/C8H8FNO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key	WJQGMSCRWIKPGN-UHFFFAOYSA-N
MDL Number	MFCD01318256
Molecular Formula	C8H8FNO2
Molecular Weight	169.1530
SMILES	OC(=O)c1ccc(c(c1N)C)F
Synonyms	2-amino-4-fluoro-3-methylbenzoic acid, 129833-28-9, Benzoic acid, 2-amino-4-fluoro-3-methyl-, ACMC-20mte6, SCHEMBL2914575, CTK0C1422, DTXSID20564997, WJQGMSCRWIKPGN-UHFFFAOYSA-N, KS-00000U1K, MFCD01318256, ZINC43321421, AKOS010900656, MCULE-4138130769, NE11843, AK601793, DS-19732, 2-amino-4-fluoro-3-methylbenzoic acid, AldrichCPR, Z1642389710,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.054g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.155g/mol
Monoisotopic Mass	169.054g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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