AG0016QG

1220886-29-2 | Benzoic acid, 4-bromo-5-fluoro-2-nitro-, methyl ester

AG0016QG

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CAS Number	1220886-29-2
Catalog Number	AG0016QG(AGN-PC-0HGDQY)
Chemical Name	Benzoic acid, 4-bromo-5-fluoro-2-nitro-, methyl ester
IUPAC Name	methyl 4-bromo-5-fluoro-2-nitrobenzoate
InChI	InChI=1S/C8H5BrFNO4/c1-15-8(12)4-2-6(10)5(9)3-7(4)11(13)14/h2-3H,1H3
InChI Key	HPMNCYDJGIMYKN-UHFFFAOYSA-N
MDL Number	MFCD21606583
Molecular Formula	C8H5BrFNO4
Molecular Weight	278.0320
SMILES	O=C(OC)C1=CC(F)=C(Br)C=C1[N+]([O-])=O
Synonyms	Methyl 4-bromo-5-fluoro-2-nitrobenzoate, 1220886-29-2, 4-Bromo-5-fluoro-2-nitro-benzoic acid methyl ester, SCHEMBL2609072, DTXSID20737321, HPMNCYDJGIMYKN-UHFFFAOYSA-N, CL8563, MFCD21606583, ZINC91692986, AKOS022172288, CS-W022848, DS-5844, QC-8769, KS-00000Z00, AK137460, SC-97381, AB0087448, AJ-131939, 4CH-019714, ST24047903, Z-8497, Benzoic acid, 4-bromo-5-fluoro-2-nitro-, methyl ester, (S pound notS)-2 pound not2-BIS(4-PHENYL-2-OXAZOLIN-2-YL)PROPANE, 22717-56-2,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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