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20532-33-6 | Benzo[b]thiophene, 5-chloro-
CAS No: 20532-33-6 Catalog No: AG002A0M MDL No:MFCD00055623
Product Description
Catalog Number:
AG002A0M
Chemical Name:
Benzo[b]thiophene, 5-chloro-
CAS Number:
20532-33-6
Molecular Formula:
C8H5ClS
Molecular Weight:
168.6433
MDL Number:
MFCD00055623
IUPAC Name:
5-chloro-1-benzothiophene
InChI:
InChI=1S/C8H5ClS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChI Key:
SNYURIHMNFPQFL-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)ccs2
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
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