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133306-31-7 | 2(1H)-Quinolinone, 1-butyl-4-chloro-3-nitro-
CAS No: 133306-31-7 Catalog No: AG0014LM MDL No:
Product Description
Catalog Number:
AG0014LM
Chemical Name:
2(1H)-Quinolinone, 1-butyl-4-chloro-3-nitro-
CAS Number:
133306-31-7
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
IUPAC Name:
1-butyl-4-chloro-3-nitroquinolin-2-one
InChI:
InChI=1S/C13H13ClN2O3/c1-2-3-8-15-10-7-5-4-6-9(10)11(14)12(13(15)17)16(18)19/h4-7H,2-3,8H2,1H3
InChI Key:
GPBMDSQCSRJXBX-UHFFFAOYSA-N
SMILES:
CCCCn1c2ccccc2c(c(c1=O)[N+](=O)[O-])Cl
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.708g/mol
Monoisotopic Mass:
280.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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