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17514-63-5 | Benzo[b]thiophene, 5-fluoro-3-methyl-
CAS No: 17514-63-5 Catalog No: AG0020CN MDL No:MFCD00179348
Product Description
Catalog Number:
AG0020CN
Chemical Name:
Benzo[b]thiophene, 5-fluoro-3-methyl-
CAS Number:
17514-63-5
Molecular Formula:
C9H7FS
Molecular Weight:
166.2153
MDL Number:
MFCD00179348
IUPAC Name:
5-fluoro-3-methyl-1-benzothiophene
InChI:
InChI=1S/C9H7FS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChI Key:
ARYSXQXKEJNADL-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(C)cs2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.213g/mol
Monoisotopic Mass:
166.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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