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23799-60-2 | 2-(5-Chlorobenzo[b]thiophen-3-yl);acetonitrile
CAS No: 23799-60-2 Catalog No: AG003MP3 MDL No:MFCD00052508
Product Description
Catalog Number:
AG003MP3
Chemical Name:
2-(5-Chlorobenzo[b]thiophen-3-yl);acetonitrile
CAS Number:
23799-60-2
Molecular Formula:
C10H6ClNS
Molecular Weight:
207.6793
MDL Number:
MFCD00052508
IUPAC Name:
2-(5-chloro-1-benzothiophen-3-yl)acetonitrile
InChI:
InChI=1S/C10H6ClNS/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6H,3H2
InChI Key:
JTPXNKOVUOJIKL-UHFFFAOYSA-N
SMILES:
N#CCc1csc2c1cc(Cl)cc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.991g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.675g/mol
Monoisotopic Mass:
206.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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