AG001B8M

1395493-30-7 | Benzoic acid, 2-amino-4-bromo-5-fluoro-, methyl ester

AG001B8M

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CAS Number	1395493-30-7
Catalog Number	AG001B8M(AGN-PC-0WG39I)
Chemical Name	Benzoic acid, 2-amino-4-bromo-5-fluoro-, methyl ester
IUPAC Name	methyl 2-amino-4-bromo-5-fluorobenzoate
InChI	InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,11H2,1H3
InChI Key	OVHIPEYONTVANB-UHFFFAOYSA-N
MDL Number	MFCD22565660
Molecular Formula	C8H7BrFNO2
Molecular Weight	248.0491
SMILES	O=C(OC)C1=CC(F)=C(Br)C=C1N
Synonyms	methyl 2-amino-4-bromo-5-fluorobenzoate, 1395493-30-7, 2-amino-4-bromo-5-fluoro-benzoic acid methyl ester, SCHEMBL16858435, OVHIPEYONTVANB-UHFFFAOYSA-N, MFCD22565660, ZINC95628807, AK200220, DS-10223, AB0087658, Z-9297, 2-amino-4-bromo-5-fluorobenzoic acid methyl ester, Benzoic acid, 2-amino-4-bromo-5-fluoro-, methyl ester, ACN-056548,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.964g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.051g/mol
Monoisotopic Mass	246.964g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number