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6314-42-7 | Benzo[b]thiophene-2-carboxamide
CAS No: 6314-42-7 Catalog No: AG003URV MDL No:MFCD00052505
Product Description
Catalog Number:
AG003URV
Chemical Name:
Benzo[b]thiophene-2-carboxamide
CAS Number:
6314-42-7
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD00052505
IUPAC Name:
1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C9H7NOS/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,10,11)
InChI Key:
GYSCBCSGKXNZRH-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc2c(s1)cccc2
NSC Number:
40286
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor. | Bioorganic & medicinal chemistry letters 20090801 |
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