AG006KTM

929000-02-2 | 3-HYDROXY-5-NITROBENZONITRILE

AG006KTM

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CAS Number	929000-02-2
Catalog Number	AG006KTM(AGN-PC-058A03)
Chemical Name	3-HYDROXY-5-NITROBENZONITRILE
IUPAC Name	3-hydroxy-5-nitrobenzonitrile
InChI	InChI=1S/C7H4N2O3/c8-4-5-1-6(9(11)12)3-7(10)2-5/h1-3,10H
InChI Key	QGVJKELIWFBDSC-UHFFFAOYSA-N
MDL Number	MFCD09258662
Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
SMILES	N#CC1=CC([N+]([O-])=O)=CC(O)=C1
Synonyms	3-Hydroxy-5-nitrobenzonitrile, 929000-02-2, ACMC-209rii, SCHEMBL15517110, CTK5H1848, DTXSID40650381, QGVJKELIWFBDSC-UHFFFAOYSA-N, ANW-39928, MFCD09258662, ZINC16125177, AKOS006345741, RTR-029107, AJ-68413, CJ-15377, PS-10590, TR-029107, ST24022909, V9216, B-4604, I01-11827, C7H4N2O3,

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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number