C(C#N)C(=O)Cl
CAS: 16130-58-8
Nom: 2-cyanoacetyl chloride
SMILES: C(C#N)C(=O)Cl

Molecular Processing

Molecular formula
C3H2ClNO
Molecular weight
103.51
Exact mass
102.9825
XLogP
0.67
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
21.09

Supplementary Information

InChIKey: GEQZTCMVWVDEDF-UHFFFAOYSA-N
Synonymes
2-cyanoacetyl Chloride16130-58-8RefChem:470717817-902-2cyanoacetyl chlorideAcetyl chloride, cyano-Acetyl chloride, 2-cyano-MFCD13689039cyanoacetic acid chlorideCyanacetylchloridcyanoacetylchloride2-cyanoacetylChloridechloroformylacetonitrile2-cyano-acetyl chlorideSCHEMBL1002595GEQZTCMVWVDEDF-UHFFFAOYSA-NAKOS016015970BS-12676EN300-105706
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→