AG000T75

126759-30-6 | Benzoic acid, 3-bromo-4-nitro-, methyl ester

AG000T75

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CAS Number	126759-30-6
Catalog Number	AG000T75(AGN-PC-03FZ31)
Chemical Name	Benzoic acid, 3-bromo-4-nitro-, methyl ester
IUPAC Name	methyl 3-bromo-4-nitrobenzoate
InChI	InChI=1S/C8H6BrNO4/c1-14-8(11)5-2-3-7(10(12)13)6(9)4-5/h2-4H,1H3
InChI Key	JZNGTPNMJBXBIJ-UHFFFAOYSA-N
MDL Number	MFCD11045599
Molecular Formula	C8H6BrNO4
Molecular Weight	260.0415
SMILES	COC(=O)C1=CC(Br)=C(C=C1)[N+]([O-])=O
Synonyms	Methyl 3-bromo-4-nitrobenzoate, 126759-30-6, Benzoic acid, 3-bromo-4-nitro-, methyl ester, SCHEMBL18862780, CTK6I9716, DTXSID40618305, KS-00000QQ3, 5271AA, MFCD11045599, ZINC47202241, AKOS015909940, DS-4449, METHYL-3-BROMO-4-NITROBENZOATE, 4-Nitro-3-bromobenzoic acid methyl ester, AK105093, 3-Bromo-4-nitro-benzoic acid methyl ester, AJ-110606, benzoic acid,3-bromo-4-nitro-,methyl ester, CS-0035993, I14-32046, C8H6BrNO4, Methyl3-bromo-4-nitrobenzoate,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.948g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	260.043g/mol
Monoisotopic Mass	258.948g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number