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18527-22-5 | 2-(3-Chlorophenyl)sulfanylacetonitrile
CAS No: 18527-22-5 Catalog No: AG01FCT9 MDL No:MFCD16835766
Product Description
Catalog Number:
AG01FCT9
Chemical Name:
2-(3-Chlorophenyl)sulfanylacetonitrile
CAS Number:
18527-22-5
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD16835766
IUPAC Name:
2-(3-chlorophenyl)sulfanylacetonitrile
InChI:
InChI=1S/C8H6ClNS/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,5H2
InChI Key:
GHHDWNWISOJDOK-UHFFFAOYSA-N
SMILES:
N#CCSc1cccc(c1)Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.653g/mol
Monoisotopic Mass:
182.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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