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27720-46-3 | Isobenzofuran, 5-methyl-1,3-diphenyl-
CAS No: 27720-46-3 Catalog No: AG002UKJ MDL No:
Product Description
Catalog Number:
AG002UKJ
Chemical Name:
Isobenzofuran, 5-methyl-1,3-diphenyl-
CAS Number:
27720-46-3
Molecular Formula:
C21H16O
Molecular Weight:
284.3511
IUPAC Name:
5-methyl-1,3-diphenyl-2-benzofuran
InChI:
InChI=1S/C21H16O/c1-15-12-13-18-19(14-15)21(17-10-6-3-7-11-17)22-20(18)16-8-4-2-5-9-16/h2-14H,1H3
InChI Key:
LBZMELWKQRWWGX-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(oc2c1ccccc1)c1ccccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.12g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.358g/mol
Monoisotopic Mass:
284.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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