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Home > Nitro Compounds > 100097-90-3
100097-90-3 | 4,7-Phenanthroline, 3-(4-nitrophenyl)-1-phenyl-
CAS No: 100097-90-3 Catalog No: AG0000WH MDL No:
Product Description
Catalog Number:
AG0000WH
Chemical Name:
4,7-Phenanthroline, 3-(4-nitrophenyl)-1-phenyl-
CAS Number:
100097-90-3
Molecular Formula:
C24H15N3O2
Molecular Weight:
377.3948
IUPAC Name:
3-(4-nitrophenyl)-1-phenyl-4,7-phenanthroline
InChI:
InChI=1S/C24H15N3O2/c28-27(29)18-10-8-17(9-11-18)23-15-20(16-5-2-1-3-6-16)24-19-7-4-14-25-21(19)12-13-22(24)26-23/h1-15H
InChI Key:
QIOKDBSLMIBBPS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nc2ccc3c(c2c(c1)c1ccccc1)cccn3
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.116g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.403g/mol
Monoisotopic Mass:
377.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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