AG00DAJ0

55404-29-0 | 4-NITRO-ISOQUINOLIN-1-OL

AG00DAJ0

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CAS Number	55404-29-0
Catalog Number	AG00DAJ0(AGN-PC-0JWLWV)
Chemical Name	4-NITRO-ISOQUINOLIN-1-OL
IUPAC Name	4-nitro-2H-isoquinolin-1-one
InChI	InChI=1S/C9H6N2O3/c12-9-7-4-2-1-3-6(7)8(5-10-9)11(13)14/h1-5H,(H,10,12)
InChI Key	HBIRBNQMLAPWOH-UHFFFAOYSA-N
MDL Number	MFCD00030740
Molecular Formula	C9H6N2O3
Molecular Weight	190.1555
SMILES	O=C1NC=C([N+]([O-])=O)C2=C1C=CC=C2
Synonyms	4-NITROISOQUINOLIN-1(2H)-ONE, 55404-29-0, 4-nitroisoquinolin-1-ol, 4-nitro-2H-isoquinolin-1-one, 1-hydroxy-4-nitroisoquinoline, 4-NITRO-ISOQUINOLIN-1-OL, 1(2H)-Isoquinolinone, 4-nitro-, AC1LGO18, SCHEMBL4470384, 4-Nitroisoquinoline-1(2H)-one, SCHEMBL15717048, CTK1G7728, DTXSID90356467, HBIRBNQMLAPWOH-UHFFFAOYSA-N, ZINC8691827, CL1038, MFCD00030740, AKOS006278646, 4-nitro-1,2-dihydroisoquinolin-1-one, FCH1600607, QC-9415, AJ-57912, AS-45953, DA-42100, AB0087339, AX8099490, FT-0723302, X-1274, CID824651, ZINC00343440,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.038g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.158g/mol
Monoisotopic Mass	190.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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