AG000TQJ

129833-29-0 | Benzoic acid, 2-amino-4-bromo-3-methyl-

AG000TQJ

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CAS Number	129833-29-0
Catalog Number	AG000TQJ(AGN-PC-002WV0)
Chemical Name	Benzoic acid, 2-amino-4-bromo-3-methyl-
IUPAC Name	2-amino-4-bromo-3-methylbenzoic acid
InChI	InChI=1S/C8H8BrNO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key	HTSCYFVXSZXFFV-UHFFFAOYSA-N
MDL Number	MFCD17244230
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	O=C(O)C1=CC=C(Br)C(C)=C1N
Synonyms	2-Amino-4-bromo-3-methylbenzoic acid, 129833-29-0, Benzoic acid, 2-amino-4-bromo-3-methyl-, ACMC-20mte7, SCHEMBL2473014, CTK0F5902, DTXSID80564998, HTSCYFVXSZXFFV-UHFFFAOYSA-N, ZINC61674969, AKOS008154362, MCULE-6673907802, NE16195, 2-amino-4-bromo-3-methyl-benzoic acid, AJ-113972, EN300-93107, Z1267773690,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	230.061g/mol
Monoisotopic Mass	228.974g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^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