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7342-86-1 | Benzo(b)thiophene, 3(?)-chloro-
CAS No: 7342-86-1 Catalog No: AG005E0Q MDL No:MFCD08361765
Product Description
Catalog Number:
AG005E0Q
Chemical Name:
Benzo(b)thiophene, 3(?)-chloro-
CAS Number:
7342-86-1
Molecular Formula:
C8H5ClS
Molecular Weight:
168.6433
MDL Number:
MFCD08361765
IUPAC Name:
3-chloro-1-benzothiophene
InChI:
InChI=1S/C8H5ClS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
InChI Key:
VURMGNDSRHGHQN-UHFFFAOYSA-N
SMILES:
Clc1csc2c1cccc2
UNII:
SE587G4DK7
NSC Number:
60757
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.98g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.638g/mol
Monoisotopic Mass:
167.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Potent agonists of the Hedgehog signaling pathway. | Bioorganic & medicinal chemistry letters 20090801 |
| Groundwater contamination by chlorinated naphthalenes and related substances caused by activities of a former military base. | Chemosphere 20051101 |
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