AG0028L8

20294-50-2 | Phenol, 4-bromo-2-methyl-6-nitro-

AG0028L8

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CAS Number	20294-50-2
Catalog Number	AG0028L8(AGN-PC-03C659)
Chemical Name	Phenol, 4-bromo-2-methyl-6-nitro-
IUPAC Name	4-bromo-2-methyl-6-nitrophenol
InChI	InChI=1S/C7H6BrNO3/c1-4-2-5(8)3-6(7(4)10)9(11)12/h2-3,10H,1H3
InChI Key	KWNYDIOUTKEIFL-UHFFFAOYSA-N
MDL Number	MFCD09835004
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	OC1=C([N+]([O-])=O)C=C(Br)C=C1C
Synonyms	4-BROMO-2-METHYL-6-NITROPHENOL, 20294-50-2, PHENOL, 4-BROMO-2-METHYL-6-NITRO-, 6-Nitro-4-brom-o-kresol, ACMC-209f88, SCHEMBL1736226, CTK4E3825, DTXSID00615259, KWNYDIOUTKEIFL-UHFFFAOYSA-N, ACT09214, ANW-24006, FD7268, MFCD09835004, ZINC62152887, AKOS012519774, AB53057, FS-4932, CJ-20912, AJ-114105, ST2405612, TC-112751, V4193, B-7745, 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
UN Code

Certificate of Analysis

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