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14251-81-1 | Quinoline, 2-[1,1'-biphenyl]-4-yl-
CAS No: 14251-81-1 Catalog No: AG006Y95 MDL No:
Product Description
Catalog Number:
AG006Y95
Chemical Name:
Quinoline, 2-[1,1'-biphenyl]-4-yl-
CAS Number:
14251-81-1
Molecular Formula:
C21H15N
Molecular Weight:
281.3505
IUPAC Name:
2-(4-phenylphenyl)quinoline
InChI:
InChI=1S/C21H15N/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-15-14-18-8-4-5-9-20(18)22-21/h1-15H
InChI Key:
KMRCHGVWLIWZTR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)c1ccc2c(n1)cccc2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.12g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.358g/mol
Monoisotopic Mass:
281.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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