AG00EIZS

636581-61-8 | Methyl 2-amino-5-bromo-3-nitrobenzoate

AG00EIZS

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CAS Number	636581-61-8
Catalog Number	AG00EIZS(AGN-PC-01NJN6)
Chemical Name	Methyl 2-amino-5-bromo-3-nitrobenzoate
IUPAC Name	methyl 2-amino-5-bromo-3-nitrobenzoate
InChI	InChI=1S/C8H7BrN2O4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,10H2,1H3
InChI Key	AVBOYXHZYFHVJS-UHFFFAOYSA-N
MDL Number	MFCD11977624
Molecular Formula	C8H7BrN2O4
Molecular Weight	275.0562
SMILES	O=C(OC)C1=CC(Br)=CC([N+]([O-])=O)=C1N
Synonyms	636581-61-8, METHYL 2-AMINO-5-BROMO-3-NITROBENZOATE, 2-Amino-5-bromo-3-nitro-benzoic acid methyl ester, Benzoic acid, 2-amino-5-bromo-3-nitro-, methyl ester, SCHEMBL221958, CTK5B9631, DTXSID10591939, AVBOYXHZYFHVJS-UHFFFAOYSA-N, MFCD11977624, ZINC67796532, AKOS015996044, Benzoic acid,2-amino-5-bromo-3-nitro-, methyl ester, 2-Amino-5-bromo-3-nitro-benzoic acid methyl ester, 98% - 1G 1g,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.959g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	275.058g/mol
Monoisotopic Mass	273.959g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	98.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number