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1379095-48-3 | Benzo[b]thiophene-2-carbonitrile, 7-chloro-
CAS No: 1379095-48-3 Catalog No: AG00142U MDL No:
Product Description
Catalog Number:
AG00142U
Chemical Name:
Benzo[b]thiophene-2-carbonitrile, 7-chloro-
CAS Number:
1379095-48-3
Molecular Formula:
C9H4ClNS
Molecular Weight:
193.6528
IUPAC Name:
7-chloro-1-benzothiophene-2-carbonitrile
InChI:
InChI=1S/C9H4ClNS/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-4H
InChI Key:
GDCTXZRYISTSTM-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(s1)c(Cl)ccc2
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:
3.6
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