AG00C457

223519-11-7 | 5-AMINO-3-BROMO-4-METHYL-1-CARBOXYLIC ACID METHYL ESTER

AG00C457

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CAS Number	223519-11-7
Catalog Number	AG00C457(AGN-PC-0QYXYG)
Chemical Name	5-AMINO-3-BROMO-4-METHYL-1-CARBOXYLIC ACID METHYL ESTER
IUPAC Name	methyl 3-amino-5-bromo-4-methylbenzoate
InChI	InChI=1S/C9H10BrNO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,11H2,1-2H3
InChI Key	BXVMWNWKILQIHB-UHFFFAOYSA-N
MDL Number	MFCD07773038
Molecular Formula	C9H10BrNO2
Molecular Weight	244.0852
SMILES	O=C(OC)C1=CC(Br)=C(C)C(N)=C1
Synonyms	Methyl 3-amino-5-bromo-4-methylbenzoate, 223519-11-7, 3-Amino-5-bromo-4-methyl-benzoic acid methyl ester, 5-Amino-3-bromo-4-methyl-1-benzoic acid methyl ester, 5-AMINO-3-BROMO-4-METHYL-1-CARBOXYLIC ACID METHYL ESTER, SCHEMBL18585192, DTXSID60646423, MFCD07773038, ZINC14984254, AKOS015996062, DS-6778, AJ-66133, AK139831, CS-0061185, FT-0686829, W-2480, 3-amino-5-bromo-4-methylBenzoic acid methyl ester, 3-Amino-5-bromo-4-methyl-benzoic acid methyl ester - 1G 1g, 5-AMINO-3-BROMO-4-METHYL-1-CARBOXYLICACIDMETHYLESTER,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.989g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.088g/mol
Monoisotopic Mass	242.989g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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