AG004P34

861106-91-4 | BENZENEMETHANOL, 2-BROMO-6-NITRO-

AG004P34

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CAS Number	861106-91-4
Catalog Number	AG004P34(AGN-PC-0V2P8G)
Chemical Name	BENZENEMETHANOL, 2-BROMO-6-NITRO-
IUPAC Name	(2-bromo-6-nitrophenyl)methanol
InChI	InChI=1S/C7H6BrNO3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-3,10H,4H2
InChI Key	QLLXWADSIGOEQZ-UHFFFAOYSA-N
MDL Number	MFCD11036298
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	OCC1=C([N+]([O-])=O)C=CC=C1Br
Synonyms	(2-BROMO-6-NITROPHENYL)METHANOL, 861106-91-4, 2-Bromo-6-nitrophenylmethanol, 2-Bromo-6-nitrobenzyl Alcohol, AK-68314, 2-Bromo-6-nitrobenzenemethanol, SCHEMBL1372574, 2-bromo-6-nitro-benzyl alcohol, CTK5F6267, DTXSID50593831, Benzenemethanol,2-bromo-6-nitro-, QLLXWADSIGOEQZ-UHFFFAOYSA-N, (2-bromo-6-nitro-phenyl)-methanol, Benzenemethanol, 2-bromo-6-nitro-, KS-00000P5P, (2-bromanyl-6-nitro-phenyl)methanol, ANW-44622, KM2385, MFCD11036298, QC-778, WT1497, ZINC54962322, AKOS005145551, CB-2671, CS-W006110, FCH1401385, DS-16950, SY046925, AJ-112503, AX8218248, TX-010255, 4CH-004061, FT-0686302, ST24020185, X0114, MFCD11036298 (95%), 861106-91-4 (2-bromo-6-nitrophenyl)methanol, A841560, C7H6BrNO3,

Complexity	171
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	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number