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88725-99-9 | Octanenitrile, 5-chloro-
CAS No: 88725-99-9 Catalog No: AG0045MR MDL No:
Product Description
Catalog Number:
AG0045MR
Chemical Name:
Octanenitrile, 5-chloro-
CAS Number:
88725-99-9
Molecular Formula:
C8H14ClN
Molecular Weight:
159.6565
IUPAC Name:
5-chlorooctanenitrile
InChI:
InChI=1S/C8H14ClN/c1-2-5-8(9)6-3-4-7-10/h8H,2-6H2,1H3
InChI Key:
XFHSURRMDBQKLB-UHFFFAOYSA-N
SMILES:
CCCC(CCCC#N)Cl
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.081g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.657g/mol
Monoisotopic Mass:
159.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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