Home Halogens 2-chlorobutyronitrile

2-chlorobutyronitrile

CAS No.:
4158-37-6
Catalog Number:
AG00CRJO
Molecular Formula:
C4H6ClN
Molecular Weight:
103.5501
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Product Description
Catalog Number:
AG00CRJO
Chemical Name:
2-chlorobutyronitrile
CAS Number:
4158-37-6
Molecular Formula:
C4H6ClN
Molecular Weight:
103.5501
MDL Number:
MFCD00040887
IUPAC Name:
2-chlorobutanenitrile
InChI:
InChI=1S/C4H6ClN/c1-2-4(5)3-6/h4H,2H2,1H3
InChI Key:
WTDNWEITCUMXGW-UHFFFAOYSA-N
SMILES:
CCC(C#N)Cl
EC Number:
223-991-3
NSC Number:
373957
Properties
Complexity:
70.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.019g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
103.549g/mol
Monoisotopic Mass:
103.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties