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862421-94-1 | Azulene, 1,3-bis(4-bromophenyl)-
CAS No: 862421-94-1 Catalog No: AG004S2A MDL No:
Product Description
Catalog Number:
AG004S2A
Chemical Name:
Azulene, 1,3-bis(4-bromophenyl)-
CAS Number:
862421-94-1
Molecular Formula:
C22H14Br2
Molecular Weight:
438.1546
IUPAC Name:
1,3-bis(4-bromophenyl)azulene
InChI:
InChI=1S/C22H14Br2/c23-17-10-6-15(7-11-17)21-14-22(16-8-12-18(24)13-9-16)20-5-3-1-2-4-19(20)21/h1-14H
InChI Key:
XHEMAMXSFJOVMM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1cc(c2c1ccccc2)c1ccc(cc1)Br
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.944g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.162g/mol
Monoisotopic Mass:
435.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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