AG003MHM

107650-20-4 | 5-Bromo-2-methyl-3-nitrobenzoic acid

AG003MHM

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CAS Number	107650-20-4
Catalog Number	AG003MHM(AGN-PC-00NWQR)
Chemical Name	5-Bromo-2-methyl-3-nitrobenzoic acid
IUPAC Name	5-bromo-2-methyl-3-nitrobenzoic acid
InChI	InChI=1S/C8H6BrNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key	DXUUJILVHXQDCV-UHFFFAOYSA-N
MDL Number	MFCD07357316
Molecular Formula	C8H6BrNO4
Molecular Weight	260.0415
SMILES	BrC1=CC(=C(C(=C1)[N+](=O)[O-])C)C(=O)O
Synonyms	5-Bromo-2-methyl-3-nitrobenzoic Acid, 107650-20-4, 5-bromo-2-methyl-3-nitrobenzoicacid, 5-bromo-2-methyl-3-nitro-benzoic acid, Benzoic acid, 5-bromo-2-methyl-3-nitro-, KSC496G3H, ACMC-20a008, SCHEMBL2591086, CTK3J6333, KS-00000CHM, DTXSID10548948, DXUUJILVHXQDCV-UHFFFAOYSA-N, CS-M2396, ANW-50934, CL8125, MFCD07357316, ZINC14982940, AKOS004120998, AKOS015996112, AC-7359, ACN-000237, AN-9106, DS-1165, QC-1832, RD-0179, RTR-001848, TRA0085089, 5-bromo-2-methyl-3-nitro benzoic acid, AJ-65762, AK-47348, AM802901, Benzoic acid,5-bromo-2-methyl-3-nitro-, BR-47348, SC-48765, SY005907, AB0034664, DB-014378, TR-001848, 4CH-000902, FT-0689789, ST24032930, X8853, S-2349, MFCD07357316 (97+%), I01-8831, J-516967, C8H6BrNO4, A2097,

Complexity	252
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	1
Isotope Atom Count	0
Molecular Weight	260.043g/mol
Monoisotopic Mass	258.948g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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