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16296-79-0 | Benzo[b]thiophene-3-carbonitrile, 5-chloro-
CAS No: 16296-79-0 Catalog No: AG001TKS MDL No:MFCD02682022
Product Description
Catalog Number:
AG001TKS
Chemical Name:
Benzo[b]thiophene-3-carbonitrile, 5-chloro-
CAS Number:
16296-79-0
Molecular Formula:
C9H4ClNS
Molecular Weight:
193.6528
MDL Number:
MFCD02682022
IUPAC Name:
5-chloro-1-benzothiophene-3-carbonitrile
InChI:
InChI=1S/C9H4ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H
InChI Key:
SXWOPXJSURXXCM-UHFFFAOYSA-N
SMILES:
N#Cc1csc2c1cc(Cl)cc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.975g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.648g/mol
Monoisotopic Mass:
192.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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