Home Halogens 5-chloro-2,2-dimethyl-pentanenitrile

5-chloro-2,2-dimethyl-pentanenitrile

CAS No.:
4207-54-9
Catalog Number:
AG00CRGV
Molecular Formula:
C7H12ClN
Molecular Weight:
145.6299
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Product Description
Catalog Number:
AG00CRGV
Chemical Name:
5-chloro-2,2-dimethyl-pentanenitrile
CAS Number:
4207-54-9
Molecular Formula:
C7H12ClN
Molecular Weight:
145.6299
MDL Number:
MFCD19232056
IUPAC Name:
5-chloro-2,2-dimethylpentanenitrile
InChI:
InChI=1S/C7H12ClN/c1-7(2,6-9)4-3-5-8/h3-5H2,1-2H3
InChI Key:
AGJFOWMZIAASOW-UHFFFAOYSA-N
SMILES:
ClCCCC(C#N)(C)C
NSC Number:
99207
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.066g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.63g/mol
Monoisotopic Mass:
145.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties