AG001QAX

158580-57-5 | Benzoic acid, 4-bromo-2-nitro-, methyl ester

AG001QAX

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CAS Number	158580-57-5
Catalog Number	AG001QAX(AGN-PC-01USGW)
Chemical Name	Benzoic acid, 4-bromo-2-nitro-, methyl ester
IUPAC Name	methyl 4-bromo-2-nitrobenzoate
InChI	InChI=1S/C8H6BrNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3
InChI Key	YTWDMAAPIWOIFZ-UHFFFAOYSA-N
MDL Number	MFCD10699645
Molecular Formula	C8H6BrNO4
Molecular Weight	260.0415
SMILES	O=C(OC)C1=CC=C(Br)C=C1[N+]([O-])=O
Synonyms	METHYL 4-BROMO-2-NITROBENZOATE, 158580-57-5, Benzoic acid, 4-bromo-2-nitro-, methyl ester, ACMC-209di6, SCHEMBL1318248, CTK4C9742, DTXSID60592996, YTWDMAAPIWOIFZ-UHFFFAOYSA-N, KS-000004NC, ANW-21772, MFCD10699645, ZINC38537042, AKOS015835505, RTR-006682, SB12305, TRA0095146, AJ-95827, AK-64845, CJ-19333, DS-15660, SY010725, 4-Bromo-2-nitro-benzoic acid methyl ester, ST2419574, TR-006682, FT-0762366, V3566, B-3218, MFCD10699645 (97+%), C8H6BrNO4, 25109-28-8,

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	2.4

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

Lot Number