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821806-26-2 | Acetonitrile, [(2-amino-5-chlorophenyl)thio]-
CAS No: 821806-26-2 Catalog No: AG0056P0 MDL No:
Product Description
Catalog Number:
AG0056P0
Chemical Name:
Acetonitrile, [(2-amino-5-chlorophenyl)thio]-
CAS Number:
821806-26-2
Molecular Formula:
C8H7ClN2S
Molecular Weight:
198.6726
IUPAC Name:
2-(2-amino-5-chlorophenyl)sulfanylacetonitrile
InChI:
InChI=1S/C8H7ClN2S/c9-6-1-2-7(11)8(5-6)12-4-3-10/h1-2,5H,4,11H2
InChI Key:
LZQPMQBPKQNTEL-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1SCC#N)Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.002g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.668g/mol
Monoisotopic Mass:
198.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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