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881404-03-1 | Azulene, 1,3-bis[1,1'-biphenyl]-4-yl-
CAS No: 881404-03-1 Catalog No: AG004F2D MDL No:
Product Description
Catalog Number:
AG004F2D
Chemical Name:
Azulene, 1,3-bis[1,1'-biphenyl]-4-yl-
CAS Number:
881404-03-1
Molecular Formula:
C34H24
Molecular Weight:
432.5544
IUPAC Name:
1,3-bis(4-phenylphenyl)azulene
InChI:
InChI=1S/C34H24/c1-4-10-25(11-5-1)27-16-20-29(21-17-27)33-24-34(32-15-9-3-8-14-31(32)33)30-22-18-28(19-23-30)26-12-6-2-7-13-26/h1-24H
InChI Key:
CNKHMIVGBRCXNQ-UHFFFAOYSA-N
SMILES:
c1ccc2c(cc1)c(cc2c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.188g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.566g/mol
Monoisotopic Mass:
432.188g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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