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127891-64-9 | Acetonitrile, 2-amino-2-[(4-chlorophenyl)thio]-
CAS No: 127891-64-9 Catalog No: AG000XI8 MDL No:
Product Description
Catalog Number:
AG000XI8
Chemical Name:
Acetonitrile, 2-amino-2-[(4-chlorophenyl)thio]-
CAS Number:
127891-64-9
Molecular Formula:
C8H7ClN2S
Molecular Weight:
198.6726
IUPAC Name:
2-amino-2-(4-chlorophenyl)sulfanylacetonitrile
InChI:
InChI=1S/C8H7ClN2S/c9-6-1-3-7(4-2-6)12-8(11)5-10/h1-4,8H,11H2
InChI Key:
YOFSISASNUVAMK-UHFFFAOYSA-N
SMILES:
NC(Sc1ccc(cc1)Cl)C#N
Properties
Complexity:
181
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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