AG0036DW

85598-12-5 | 4-Bromo-3-methyl-2-nitrophenol

AG0036DW

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CAS Number	85598-12-5
Catalog Number	AG0036DW(AGN-PC-0WCKHX)
Chemical Name	4-Bromo-3-methyl-2-nitrophenol
IUPAC Name	4-bromo-3-methyl-2-nitrophenol
InChI	InChI=1S/C7H6BrNO3/c1-4-5(8)2-3-6(10)7(4)9(11)12/h2-3,10H,1H3
InChI Key	HXNNJFUSAYWUFT-UHFFFAOYSA-N
MDL Number	MFCD17016113
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	[O-][N+](=O)c1c(O)ccc(c1C)Br
Synonyms	4-Bromo-3-methyl-2-nitrophenol, 85598-12-5, SCHEMBL594277, SCHEMBL13868758, 2-Nitro-3-methyl-4-bromophenol, CTK8C3393, DTXSID40517783, HXNNJFUSAYWUFT-UHFFFAOYSA-N, 4-bromo-3-methyl-2-nitro-phenol, 3294AC, ANW-70038, MFCD17016113, ZINC39392141, Phenol, 4-bromo-3-methyl-2-nitro-, AKOS016001981, FCH1352023, PB11262, AK100660, AS-42576, DA-02615, SY100546, AJ-100148, AX8241589, TC-158783, CS-0050984, FT-0705343, ST24023365, MFCD17016113 (95%), Q-2012, C7H6BrNO3,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.953g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.033g/mol
Monoisotopic Mass	230.953g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number