Home Halogens 3-(chloromethyl)but-3-enenitrile

3-(chloromethyl)but-3-enenitrile

CAS No.:
3621-53-2
Catalog Number:
AG01BKFC
Molecular Formula:
C5H6ClN
Molecular Weight:
115.5608
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BKFC
Chemical Name:
3-(chloromethyl)but-3-enenitrile
CAS Number:
3621-53-2
Molecular Formula:
C5H6ClN
Molecular Weight:
115.5608
MDL Number:
MFCD19234537
IUPAC Name:
3-(chloromethyl)but-3-enenitrile
InChI:
InChI=1S/C5H6ClN/c1-5(4-6)2-3-7/h1-2,4H2
InChI Key:
GDONRPJGPFTIBH-UHFFFAOYSA-N
SMILES:
ClCC(=C)CC#N
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.019g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
115.56g/mol
Monoisotopic Mass:
115.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties