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33695-74-8 | 6-(2,4-Dichloro-phenoxy)hexanenitrile
CAS No: 33695-74-8 Catalog No: AG01FD91 MDL No:
Product Description
Catalog Number:
AG01FD91
Chemical Name:
6-(2,4-Dichloro-phenoxy)hexanenitrile
CAS Number:
33695-74-8
Molecular Formula:
C12H13Cl2NO
Molecular Weight:
258.1437
IUPAC Name:
6-(2,4-dichlorophenoxy)hexanenitrile
InChI:
InChI=1S/C12H13Cl2NO/c13-10-5-6-12(11(14)9-10)16-8-4-2-1-3-7-15/h5-6,9H,1-4,8H2
InChI Key:
KSMPFCQZLWEVIP-UHFFFAOYSA-N
SMILES:
N#CCCCCCOc1ccc(cc1Cl)Cl
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.142g/mol
Monoisotopic Mass:
257.037g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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