AG00CAI2

39835-09-1 | 2-Hydroxy-5-nitrobenzonitrile

AG00CAI2

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CAS Number	39835-09-1
Catalog Number	AG00CAI2(AGN-PC-0NG5HV)
Chemical Name	2-Hydroxy-5-nitrobenzonitrile
IUPAC Name	2-hydroxy-5-nitrobenzonitrile
InChI	InChI=1S/C7H4N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H
InChI Key	MPQNPFJBRPRBFF-UHFFFAOYSA-N
MDL Number	MFCD00234258
Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
SMILES	N#CC1=CC([N+]([O-])=O)=CC=C1O
Synonyms	2-hydroxy-5-nitrobenzonitrile, 39835-09-1, 2-cyano-4-nitrophenol, 2-hydroxy-5-nitro-benzonitrile, Benzonitrile, 2-hydroxy-5-nitro-, MPQNPFJBRPRBFF-UHFFFAOYSA-N, 2-hydroxy-5-nitrobenzenecarbonitrile, 5-Nitro-2-Oxidanyl-Benzenecarbonitrile, 6VP, 4-nitro 2-cyanophenol, 2-cyano-4-nitrophenolate, SCHEMBL1342722, CTK7C7256, DTXSID40455712, ZINC2738988, 5245AB, ANW-52550, MFCD00234258, SBB023584, STK350664, AKOS000313146, AM61509, AS06279, CM10113, MCULE-7638434967, NE58773, AJ-44175, AS-43463, ST095860, TC-141295, ST24028038, EN300-49449, Z1262237277, C7H4N2O3, CID11116377,

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	2.3

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

Lot Number