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Home > Nitro Compounds > 88685-90-9
88685-90-9 | 4H-1-Benzopyran-4-one, 3-nitro-2-(2-quinolinyl)-
CAS No: 88685-90-9 Catalog No: AG0046VN MDL No:
Product Description
Catalog Number:
AG0046VN
Chemical Name:
4H-1-Benzopyran-4-one, 3-nitro-2-(2-quinolinyl)-
CAS Number:
88685-90-9
Molecular Formula:
C18H10N2O4
Molecular Weight:
318.2830
IUPAC Name:
3-nitro-2-quinolin-2-ylchromen-4-one
InChI:
InChI=1S/C18H10N2O4/c21-17-12-6-2-4-8-15(12)24-18(16(17)20(22)23)14-10-9-11-5-1-3-7-13(11)19-14/h1-10H
InChI Key:
QBVYKIXAJREZGS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(oc2c(c1=O)cccc2)c1ccc2c(n1)cccc2
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.288g/mol
Monoisotopic Mass:
318.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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