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147778-05-0 | 2(1H)-Quinolinone, 7-chloro-3,4-dihydro-3-nitro-
CAS No: 147778-05-0 Catalog No: AG001F6I MDL No:MFCD00672676
Product Description
Catalog Number:
AG001F6I
Chemical Name:
2(1H)-Quinolinone, 7-chloro-3,4-dihydro-3-nitro-
CAS Number:
147778-05-0
Molecular Formula:
C9H7ClN2O3
Molecular Weight:
226.6165
MDL Number:
MFCD00672676
IUPAC Name:
7-chloro-3-nitro-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C9H7ClN2O3/c10-6-2-1-5-3-8(12(14)15)9(13)11-7(5)4-6/h1-2,4,8H,3H2,(H,11,13)
InChI Key:
JXGOSNKBNBJAGV-UHFFFAOYSA-N
SMILES:
O=C1Nc2cc(Cl)ccc2CC1[N+](=O)[O-]
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.616g/mol
Monoisotopic Mass:
226.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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