Home Halogens 1-(4-chlorobutyl)cyclobutane-1-carbonitrile

1-(4-chlorobutyl)cyclobutane-1-carbonitrile

CAS No.:
2137823-49-3
Catalog Number:
AG01ELZT
Molecular Formula:
C9H14ClN
Molecular Weight:
171.6672
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Product Description
Catalog Number:
AG01ELZT
Chemical Name:
1-(4-chlorobutyl)cyclobutane-1-carbonitrile
CAS Number:
2137823-49-3
Molecular Formula:
C9H14ClN
Molecular Weight:
171.6672
MDL Number:
MFCD31421511
IUPAC Name:
1-(4-chlorobutyl)cyclobutane-1-carbonitrile
InChI:
InChI=1S/C9H14ClN/c10-7-2-1-4-9(8-11)5-3-6-9/h1-7H2
InChI Key:
SNTVDHDUTPRJGC-UHFFFAOYSA-N
SMILES:
ClCCCCC1(C#N)CCC1
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.081g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.668g/mol
Monoisotopic Mass:
171.081g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties