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Home > Nitro Compounds > 114417-33-3
114417-33-3 | 7-nitro-1,2,3,4-tetrahydroquinolin-4-one
CAS No: 114417-33-3 Catalog No: AG01AJDF MDL No:MFCD19382229
Product Description
Catalog Number:
AG01AJDF
Chemical Name:
7-nitro-1,2,3,4-tetrahydroquinolin-4-one
CAS Number:
114417-33-3
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD19382229
IUPAC Name:
7-nitro-2,3-dihydro-1H-quinolin-4-one
InChI:
InChI=1S/C9H8N2O3/c12-9-3-4-10-8-5-6(11(13)14)1-2-7(8)9/h1-2,5,10H,3-4H2
InChI Key:
BQIJYYUJEBALJV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)NCCC2=O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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