AG007TQU

106896-48-4 | 3-Amino-2-bromo-benzoic acid methyl ester

AG007TQU

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CAS Number	106896-48-4
Catalog Number	AG007TQU(AGN-PC-00N4HU)
Chemical Name	3-Amino-2-bromo-benzoic acid methyl ester
IUPAC Name	methyl 3-amino-2-bromobenzoate
InChI	InChI=1S/C8H8BrNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3
InChI Key	NIXWZYZFLFEHMB-UHFFFAOYSA-N
MDL Number	MFCD00021899
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	O=C(OC)C1=CC=CC(N)=C1Br
Synonyms	methyl 3-amino-2-bromobenzoate, 106896-48-4, 3-Amino-2-bromo-benzoic acid methyl ester, ACMC-1BTYS, methyl 2-bromo-3-aminobenzoate, SCHEMBL5210612, CTK4A4841, DTXSID80544174, NIXWZYZFLFEHMB-UHFFFAOYSA-N, KS-00000NG6, ZINC2518225, ANW-54061, MFCD03844437, AKOS015855271, CS-W006317, MB03033, MCULE-5302734461, Methyl 3-amino-2-bromobenzoate, 95%, NE12581, RP27873, 3-Amino-2-bromo-benzoic acidmethylester, 2-Bromo-3-aminobenzoic acid methyl ester, AJ-37070, AK-32786, DS-12046, SC-59537, AB0037737, DB-006322, ST2407190, TC-020902, 4CH-017142, FT-0080317, FT-0650679, Y5062, Benzoic acid,3-amino-2-bromo-, methyl ester, Benzoic acid, 3-amino-2-bromo-, methyl ester, J-511531, I14-34100, Z1849042320, C8H8BrNO2, RW1495,

Complexity	174
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	1
Isotope Atom Count	0
Molecular Weight	230.061g/mol
Monoisotopic Mass	228.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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