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Home > Nitro Compounds > 89720-61-6
89720-61-6 | 4H-1-Benzopyran-4-one, 2-(2-naphthalenyl)-6-nitro-
CAS No: 89720-61-6 Catalog No: AG0043VO MDL No:
Product Description
Catalog Number:
AG0043VO
Chemical Name:
4H-1-Benzopyran-4-one, 2-(2-naphthalenyl)-6-nitro-
CAS Number:
89720-61-6
Molecular Formula:
C19H11NO4
Molecular Weight:
317.2949
IUPAC Name:
2-naphthalen-2-yl-6-nitrochromen-4-one
InChI:
InChI=1S/C19H11NO4/c21-17-11-19(14-6-5-12-3-1-2-4-13(12)9-14)24-18-8-7-15(20(22)23)10-16(17)18/h1-11H
InChI Key:
YIIOWDXTQXQZCR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)cc(o2)c1ccc2c(c1)cccc2
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.069g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.3g/mol
Monoisotopic Mass:
317.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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