Home Halogens 4-chloropentanenitrile

4-chloropentanenitrile

CAS No.:
13249-56-4
Catalog Number:
AG01AGBL
Molecular Formula:
C5H8ClN
Molecular Weight:
117.5767
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Product Description
Catalog Number:
AG01AGBL
Chemical Name:
4-chloropentanenitrile
CAS Number:
13249-56-4
Molecular Formula:
C5H8ClN
Molecular Weight:
117.5767
MDL Number:
MFCD21184641
IUPAC Name:
4-chloropentanenitrile
InChI:
InChI=1S/C5H8ClN/c1-5(6)3-2-4-7/h5H,2-3H2,1H3
InChI Key:
XUKFSXNWRWHCEQ-UHFFFAOYSA-N
SMILES:
N#CCCC(Cl)C
Properties
Complexity:
81.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.035g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.576g/mol
Monoisotopic Mass:
117.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties