AG0003AM

100959-22-6 | Benzoic acid, 2-bromo-4-nitro-, methyl ester

AG0003AM

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CAS Number	100959-22-6
Catalog Number	AG0003AM(AGN-PC-0NKZDN)
Chemical Name	Benzoic acid, 2-bromo-4-nitro-, methyl ester
IUPAC Name	methyl 2-bromo-4-nitrobenzoate
InChI	InChI=1S/C8H6BrNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3
InChI Key	XYMZAFDNPJLOTP-UHFFFAOYSA-N
MDL Number	MFCD07779271
Molecular Formula	C8H6BrNO4
Molecular Weight	260.0415
SMILES	BrC1=C(C(=O)OC)C=CC(=C1)[N+](=O)[O-]
Synonyms	Methyl 2-bromo-4-nitrobenzoate, 100959-22-6, METHYL-2-BROMO-4-NITROBENZOATE, 2-Bromo-4-nitrobenzoic Acid Methyl Ester, methyl 2-bromo-4-nitro-benzoate, Benzoic acid, 2-bromo-4-nitro-, methyl ester, 3-Bromo-4-(methoxycarbonyl)nitrobenzene, 2-bromo-4-nitro-benzoic acid methyl ester, PubChem11098, ACMC-1CUL8, SCHEMBL2721981, Methyl 4-nitro-2-bromobenzoate, CTK3J8307, DTXSID30578722, XYMZAFDNPJLOTP-UHFFFAOYSA-N, ZERENEX E/1081546, BCP26480, CS-D1683, ANW-14401, CL9080, CM-378, GEO-03933, MFCD07779271, SBB068812, STL255756, ZINC12471065, AKOS015852354, FR-2343, LS11612, MCULE-4755636107, RTC-020874, TRA0052094, VZ32529, KS-00000M93, AJ-62289, AK-45318, AN-34386, AS-11326, BC003580, BC682431, CJ-14066, SY029625, AB0009667, DB-007650, TC-020874, FT-0600646, M2123, ST24047687, TL80073958, MFCD07779271 (98%), A-4095, 959M226, J-000289, S01-0285, C8H6BrNO4, A15052, 2510-36-3,

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	2.3

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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