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84258-73-1 | Benzo[b]thiophene, 5-methyl-2-(2-phenylethenyl)-
CAS No: 84258-73-1 Catalog No: AG004U6A MDL No:
Product Description
Catalog Number:
AG004U6A
Chemical Name:
Benzo[b]thiophene, 5-methyl-2-(2-phenylethenyl)-
CAS Number:
84258-73-1
Molecular Formula:
C17H14S
Molecular Weight:
250.3581
IUPAC Name:
5-methyl-2-(2-phenylethenyl)-1-benzothiophene
InChI:
InChI=1S/C17H14S/c1-13-7-10-17-15(11-13)12-16(18-17)9-8-14-5-3-2-4-6-14/h2-12H,1H3
InChI Key:
MGLSJOCNBDEJRL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc(s2)C=Cc1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.359g/mol
Monoisotopic Mass:
250.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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