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133306-49-7 | 2(1H)-Quinolinone, 1-butyl-4-(methylamino)-3-nitro-
CAS No: 133306-49-7 Catalog No: AG0014LL MDL No:
Product Description
Catalog Number:
AG0014LL
Chemical Name:
2(1H)-Quinolinone, 1-butyl-4-(methylamino)-3-nitro-
CAS Number:
133306-49-7
Molecular Formula:
C14H17N3O3
Molecular Weight:
275.3031
IUPAC Name:
1-butyl-4-(methylamino)-3-nitroquinolin-2-one
InChI:
InChI=1S/C14H17N3O3/c1-3-4-9-16-11-8-6-5-7-10(11)12(15-2)13(14(16)18)17(19)20/h5-8,15H,3-4,9H2,1-2H3
InChI Key:
JVVIXBPGVDQINQ-UHFFFAOYSA-N
SMILES:
CCCCn1c2ccccc2c(c(c1=O)[N+](=O)[O-])NC
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.308g/mol
Monoisotopic Mass:
275.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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