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Home> Hot Product Listed O   > OPREA1_543531
23432-46-4 structure

OPREA1_543531

Iupac Name:8-nitro-1H-quinolin-4-one
CAS No.:23432-46-4
Molecular Weight:190.15600
Molecular Formula:C17H16N4O5 (isomer)
Names and Identifiers
Synonyms

2-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one 2-{3-[(4-bromo-3,5-dimethyl-1h-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1h)-one 2-{3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl}-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one AC1NA1DS AKOS005399267 MCULE-5716624812 MOLPORT-001-513-160 STK113199 STOCK4S-89526

Inchi
InChI=1S/C9H6N2O3/c12-8-4-5-10-9-6(8)2-1-3-7(9)11(13)14/h1-5H,(H,10,12)
InChkey
MMLGHJCPFCGNEY-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C1)[N+](=O)[O-])NC=CC2=O
Properties
Vapour
5.6E-05mmHg at 25°C
Refractive Index
1.636
HS Code
2933499090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:190.15600g/mol
  • Molecular Formula:C17H16N4O5
  • Compound Is Canonicalized:True
  • Exact Mass:190.038
  • Monoisotopic Mass:190.038
  • Complexity:295
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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