AG00FHTO

7461-12-3 | 8-Nitroquinolin-2(1H)-one

AG00FHTO

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CAS Number	7461-12-3
Catalog Number	AG00FHTO(AGN-PC-0JMHLH)
Chemical Name	8-Nitroquinolin-2(1H)-one
IUPAC Name	8-nitro-1H-quinolin-2-one
InChI	InChI=1S/C9H6N2O3/c12-8-5-4-6-2-1-3-7(11(13)14)9(6)10-8/h1-5H,(H,10,12)
InChI Key	LPIFZNBFLQNYIA-UHFFFAOYSA-N
MDL Number	MFCD21605405
Molecular Formula	C9H6N2O3
Molecular Weight	190.1555
NSC Number	404777
SMILES	O=C1NC2=C(C=CC=C2[N+]([O-])=O)C=C1
Synonyms	8-Nitroquinolin-2(1H)-one, 7461-12-3, MLS003171567, LPIFZNBFLQNYIA-UHFFFAOYSA-N, 8-Nitro-1H-quinolin-2-one, 8-nitro-quinolone, NSC404777, 8-nitroquinolin-2-ol, 8-Nitroquinoline-2(1H)-one, SCHEMBL3224253, CHEMBL2042573, CTK8C3420, DTXSID40323745, ZINC8652260, 1,2-dihydro-8-nitroquinolin-2-one, 8-nitro-1,2-dihydroquinolin-2-one, ANW-70072, AKOS016001731, DS-2245, NSC-404777, SMR001875449, 4CH-012216, ST24024586, Z5094, 6-Methyl-5-thiouracil, AC1L856G, C9H6N2O3, 2(1H)-Quinolinone, 8-nitro-, CID346520, AJ-57845, CJ-13317,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.037842g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.16g/mol
Monoisotopic Mass	190.037842g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.9Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number