AG007L7T

28177-79-9 | 2-Hydroxy-3-nitrobenzonitrile

AG007L7T

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CAS Number	28177-79-9
Catalog Number	AG007L7T(AGN-PC-0NJ2OT)
Chemical Name	2-Hydroxy-3-nitrobenzonitrile
IUPAC Name	2-hydroxy-3-nitrobenzonitrile
InChI	InChI=1S/C7H4N2O3/c8-4-5-2-1-3-6(7(5)10)9(11)12/h1-3,10H
InChI Key	ZUOCMGGILLTISV-UHFFFAOYSA-N
MDL Number	MFCD00234257
Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
SMILES	N#CC1=CC=CC([N+]([O-])=O)=C1O
Synonyms	2-hydroxy-3-nitrobenzonitrile, 28177-79-9, 2-HYDROXY-3-NITRO-BENZONITRILE, 2-nitro-6-cyanophenol, 2-hydroxy-3-nitrobenzenecarbonitrile, 2-nitro-6cyanophenol, 6-cyano-2-nitrophenol, SCHEMBL1344484, CTK4G0976, Benzonitrile,2-hydroxy-3-nitro-, DTXSID70499462, ZUOCMGGILLTISV-UHFFFAOYSA-N, ZINC2559908, MFCD00234257, SBB046679, STL414779, AKOS005169401, AKOS015922432, GS-6069, MCULE-7171373501, NE44837, KS-0000267H, FT-0691705, ST45168406, EN300-88382,

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	1.3

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