AG009WKH

1342063-52-8 | Methyl 3-amino-2-bromo-5-fluorobenzoate

AG009WKH

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CAS Number	1342063-52-8
Catalog Number	AG009WKH
Chemical Name	Methyl 3-amino-2-bromo-5-fluorobenzoate
IUPAC Name	methyl 3-amino-2-bromo-5-fluorobenzoate
InChI	InChI=1S/C8H7BrFNO2/c1-13-8(12)5-2-4(10)3-6(11)7(5)9/h2-3H,11H2,1H3
InChI Key	RHDPQYAIQSOALR-UHFFFAOYSA-N
MDL Number	MFCD17276516
Molecular Formula	C8H7BrFNO2
Molecular Weight	248.0491
SMILES	C(=O)(OC)c1c(Br)c(N)cc(c1)F
Synonyms	methyl 3-amino-2-bromo-5-fluorobenzoate, 1342063-52-8, SCHEMBL15067775, RHDPQYAIQSOALR-UHFFFAOYSA-N, MFCD17276516, ZINC62350348, AKOS012321221, methyl 2-bromo-5-fluoro-3-aminobenzoate, PS-11467, FT-0741171, A1-07268, ACN-056557,

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	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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