AG000Z26

129298-23-3 | Benzonitrile, 3-hydroxy-2-nitro-

AG000Z26

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CAS Number	129298-23-3
Catalog Number	AG000Z26(AGN-PC-0WCZX6)
Chemical Name	Benzonitrile, 3-hydroxy-2-nitro-
IUPAC Name	3-hydroxy-2-nitrobenzonitrile
InChI	InChI=1S/C7H4N2O3/c8-4-5-2-1-3-6(10)7(5)9(11)12/h1-3,10H
InChI Key	JELNXWUZFOQXGZ-UHFFFAOYSA-N
MDL Number	MFCD09834347
Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
SMILES	N#CC1=CC=CC(O)=C1[N+]([O-])=O
Synonyms	3-hydroxy-2-nitrobenzonitrile, 129298-23-3, 3-Hydroxy-2-nitro-benzonitrile, 2-Nitro-3-hydroxy benzonitrile, 2-nitro-3-hydroxybenzonitrile, SCHEMBL2402260, CTK4B6235, Benzonitrile,3-hydroxy-2-nitro-, DTXSID10551417, JELNXWUZFOQXGZ-UHFFFAOYSA-N, Benzonitrile, 3-hydroxy-2-nitro-, ZINC26422636, AKOS005208240, RP22679, AJ-82260, DA-12884, SC-90208, AB0107274, FT-0701559, Z-9313, J-512624, F2147-0181,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.12g/mol
Monoisotopic Mass	164.022g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	89.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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