AG00I4IF

22996-19-6 | Benzenemethanol,4-bromo-2-nitro-

AG00I4IF

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CAS Number	22996-19-6
Catalog Number	AG00I4IF(AGN-PC-0QZJBS)
Chemical Name	Benzenemethanol,4-bromo-2-nitro-
IUPAC Name	(4-bromo-2-nitrophenyl)methanol
InChI	InChI=1S/C7H6BrNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2
InChI Key	VEVBVFGGMFKIBA-UHFFFAOYSA-N
MDL Number	MFCD07779493
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	OCC1=CC=C(Br)C=C1[N+]([O-])=O
Synonyms	22996-19-6, 4-Bromo-2-nitrobenzyl alcohol, 4-Bromo-2-nitrobenzylalcohol, (4-bromo-2-nitrophenyl)methanol, KSC497I7R, SCHEMBL752293, 2-Nitro-4-bromobenzenemethanol, 2-Nitro-4-bromobenzyl alcohol, 4-bromo-2-nitrobenzenemethanol, 4-bromo-2-nitrophenyl methanol, CTK3J7478, KS-00000LHN, DTXSID00579286, Benzenemethanol,4-bromo-2-nitro-, VEVBVFGGMFKIBA-UHFFFAOYSA-N, (4-bromo-2-nitro-phenyl)-methanol, ACT03536, (4-bromanyl-2-nitro-phenyl)methanol, ANW-48779, CL8721, CN-637, FC0721, MFCD07779493, ZINC22016660, AKOS005257290, RTC-030193, VZ28491, AJ-80687, AK-34240, AS-18217, BR-34240, CJ-17276, AB0023593, DB-006706, ST2402409, TC-030193, A4873, AM20030396, FT-0080711, FT-0600719, W4675, S-1957, 996B196, A816470, C7H6BrNO3, ACN-001553,

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

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