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88725-93-3 | Hexanenitrile, 3-chloro-
CAS No: 88725-93-3 Catalog No: AG0045MS MDL No:
Product Description
Catalog Number:
AG0045MS
Chemical Name:
Hexanenitrile, 3-chloro-
CAS Number:
88725-93-3
Molecular Formula:
C6H10ClN
Molecular Weight:
131.6033
IUPAC Name:
3-chlorohexanenitrile
InChI:
InChI=1S/C6H10ClN/c1-2-3-6(7)4-5-8/h6H,2-4H2,1H3
InChI Key:
AABDSJJXMUXSRW-UHFFFAOYSA-N
SMILES:
CCCC(CC#N)Cl
Properties
Complexity:
91.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.05g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.603g/mol
Monoisotopic Mass:
131.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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