C=C(CCl)C#N
CAS: 7659-44-1
Nom: 2-(chloromethyl)prop-2-enenitrile
SMILES: C=C(CCl)C#N

Molecular Processing

Molecular formula
C4H4ClN
Molecular weight
101.54
Exact mass
101.0032
XLogP
1.3
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
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
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
25.47

Supplementary Information

InChIKey: QIBPJPNDSZRXRO-UHFFFAOYSA-N
Synonymes
2-(chloromethyl)prop-2-enenitrile2-(Chloromethyl)-2-propenenitrileRefChem:460167984-178-37659-44-1ACRYLONITRILE, 2-(CHLOROMETHYL)-2-(Chloromethyl)acrylonitrile2-Propenenitrile, 2-(chloromethyl)-GJ53D35TK5NSC-231694alpha-(Chloromethyl)acrylonitrileC4H4ClNAcrylonitrile, alpha-(chloromethyl)-NSC 231694BRN 1098488NSC231694WLN: G1YU1&CNUNII-GJ53D35TK53-02-00-01297 (Beilstein Handbook Reference)2-(chloromethyl)-acrylonitrileSCHEMBL1827049DTXSID20227393QIBPJPNDSZRXRO-UHFFFAOYSA-NMFCD01673955AKOS006386495Acrylonitrile, .alpha.-(chloromethyl)-EN300-192801G49910
Voir la source →
Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→