Home Nitriles 2-(Chloromethyl)acrylonitrile

2-(Chloromethyl)acrylonitrile

CAS No.:
7659-44-1
Catalog Number:
AG00GMZR
Molecular Formula:
C4H4ClN
Molecular Weight:
101.5343
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Product Description
Catalog Number:
AG00GMZR
Chemical Name:
2-(Chloromethyl)acrylonitrile
CAS Number:
7659-44-1
Molecular Formula:
C4H4ClN
Molecular Weight:
101.5343
MDL Number:
MFCD01673955
IUPAC Name:
2-(chloromethyl)prop-2-enenitrile
InChI:
InChI=1S/C4H4ClN/c1-4(2-5)3-6/h1-2H2
InChI Key:
QIBPJPNDSZRXRO-UHFFFAOYSA-N
SMILES:
ClCC(=C)C#N
NSC Number:
231694
Properties
Complexity:
97.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.003g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
101.533g/mol
Monoisotopic Mass:
101.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties