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1250912-76-5 | 5-(2,6-Dichloro-phenoxy)pentanenitrile
CAS No: 1250912-76-5 Catalog No: AG01FCLA MDL No:
Product Description
Catalog Number:
AG01FCLA
Chemical Name:
5-(2,6-Dichloro-phenoxy)pentanenitrile
CAS Number:
1250912-76-5
Molecular Formula:
C11H11Cl2NO
Molecular Weight:
244.1171
IUPAC Name:
5-(2,6-dichlorophenoxy)pentanenitrile
InChI:
InChI=1S/C11H11Cl2NO/c12-9-5-4-6-10(13)11(9)15-8-3-1-2-7-14/h4-6H,1-3,8H2
InChI Key:
LTSAOVGJHBTTNG-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1c(Cl)cccc1Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.115g/mol
Monoisotopic Mass:
243.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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