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83821-41-4 | Benzo[b]thiophene, 3-[2-(4-methylphenyl)ethenyl]-
CAS No: 83821-41-4 Catalog No: AG00556J MDL No:
Product Description
Catalog Number:
AG00556J
Chemical Name:
Benzo[b]thiophene, 3-[2-(4-methylphenyl)ethenyl]-
CAS Number:
83821-41-4
Molecular Formula:
C17H14S
Molecular Weight:
250.3581
IUPAC Name:
3-[2-(4-methylphenyl)ethenyl]-1-benzothiophene
InChI:
InChI=1S/C17H14S/c1-13-6-8-14(9-7-13)10-11-15-12-18-17-5-3-2-4-16(15)17/h2-12H,1H3
InChI Key:
SHMKKZSEAJYJTM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=Cc1csc2c1cccc2
Properties
Complexity:
288
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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