Free Chemical Databases
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[Synonyms]
5-Chlorovaleronitrile
sNxHFHaIUZjp@
5-Chloropentanenitrile
5-Chloro-n-valeronitrile
Pentanenitrile, 5-chloro-
Valeronitrile, 5-chloro-
.delta.-Chlorovaleronitrile
C73001_ALDRICH
NSC6156
EINECS 228-481-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 117.57672 [g/mol] Molecular Formula C5H8ClN XLogP 1.3 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 3 Exact Mass 117.034527 MonoIsotopic Mass 117.034527 Topological Polar Surface Area 23.8 Heavy Atom Count 7 Formal Charge 0 Complexity 71.4 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-chloropentanenitrile
Canonical SMILES: C(CCCl)CC#N
InChI: InChI=1/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2
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