Home Other Building Blocks Acetyl chloride, 2-cyano-

Acetyl chloride, 2-cyano-

CAS No.:
16130-58-8
Catalog Number:
AG001SBN
Molecular Formula:
C3H2ClNO
Molecular Weight:
103.5071
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Product Description
Catalog Number:
AG001SBN
Chemical Name:
Acetyl chloride, 2-cyano-
CAS Number:
16130-58-8
Molecular Formula:
C3H2ClNO
Molecular Weight:
103.5071
MDL Number:
MFCD13689039
IUPAC Name:
2-cyanoacetyl chloride
InChI:
InChI=1S/C3H2ClNO/c4-3(6)1-2-5/h1H2
InChI Key:
GEQZTCMVWVDEDF-UHFFFAOYSA-N
SMILES:
ClC(=O)CC#N
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.982g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
103.505g/mol
Monoisotopic Mass:
102.982g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Discovery of adamantyl heterocyclic ketones as potent 11β-hydroxysteroid dehydrogenase type 1 inhibitors. ChemMedChem 20110801
Properties