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183135-83-3 | Benzoxazole, 2-[4-(2-[1,1'-biphenyl]-4-ylethenyl)phenyl]-6-butyl-
CAS No: 183135-83-3 Catalog No: AG0024EN MDL No:
Product Description
Catalog Number:
AG0024EN
Chemical Name:
Benzoxazole, 2-[4-(2-[1,1'-biphenyl]-4-ylethenyl)phenyl]-6-butyl-
CAS Number:
183135-83-3
Molecular Formula:
C31H27NO
Molecular Weight:
429.5522
IUPAC Name:
6-butyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
InChI:
InChI=1S/C31H27NO/c1-2-3-7-25-16-21-29-30(22-25)33-31(32-29)28-19-14-24(15-20-28)11-10-23-12-17-27(18-13-23)26-8-5-4-6-9-26/h4-6,8-22H,2-3,7H2,1H3
InChI Key:
ZFGVMPBGAAYEAM-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)oc(n2)c1ccc(cc1)C=Cc1ccc(cc1)c1ccccc1
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.209g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
429.563g/mol
Monoisotopic Mass:
429.209g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
9.2
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