AG00IMC5

328547-12-2 | Benzoic acid, 2-bromo-5-fluoro-3-nitro-, methyl ester

AG00IMC5

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CAS Number	328547-12-2
Catalog Number	AG00IMC5(AGN-PC-02W5FY)
Chemical Name	Benzoic acid, 2-bromo-5-fluoro-3-nitro-, methyl ester
IUPAC Name	methyl 2-bromo-5-fluoro-3-nitrobenzoate
InChI	InChI=1S/C8H5BrFNO4/c1-15-8(12)5-2-4(10)3-6(7(5)9)11(13)14/h2-3H,1H3
InChI Key	ALJLYDZKUSJQBO-UHFFFAOYSA-N
MDL Number	MFCD12172980
Molecular Formula	C8H5BrFNO4
Molecular Weight	278.0320
SMILES	BrC1=C(C(=O)OC)C=C(C=C1[N+](=O)[O-])F
Synonyms	methyl 2-bromo-5-fluoro-3-nitrobenzoate, 328547-12-2, SCHEMBL4017244, ALJLYDZKUSJQBO-UHFFFAOYSA-N, MFCD12172980, ZINC35333477, PS-10488, SY224265, MFCD12172980 (95%), 2-bromo-5-fluoro-3-nitro-benzoic acid methyl ester, Benzoic acid, 2-bromo-5-fluoro-3-nitro-, methyl ester,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.939g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	278.033g/mol
Monoisotopic Mass	276.939g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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