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6280-87-1 | 5-Chloropentanenitrile
CAS No: 6280-87-1 Catalog No: AG003MP5 MDL No:MFCD00001977
Product Description
Catalog Number:
AG003MP5
Chemical Name:
5-Chloropentanenitrile
CAS Number:
6280-87-1
Molecular Formula:
C5H8ClN
Molecular Weight:
117.5767
MDL Number:
MFCD00001977
IUPAC Name:
5-chloropentanenitrile
InChI:
InChI=1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2
InChI Key:
JSAWFGSXRPCFSW-UHFFFAOYSA-N
SMILES:
ClCCCCC#N
EC Number:
228-481-4
NSC Number:
6156
Properties
Complexity:
71.4
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:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| 5-(3,6-Dibromo-9H-carbazol-9-yl)penta-nenitrile. | Acta crystallographica. Section E, Structure reports online 20110301 |
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