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1249098-07-4 | 5-(3,4-Dichloro-phenoxy)pentanenitrile
CAS No: 1249098-07-4 Catalog No: AG01FCL2 MDL No:
Product Description
Catalog Number:
AG01FCL2
Chemical Name:
5-(3,4-Dichloro-phenoxy)pentanenitrile
CAS Number:
1249098-07-4
Molecular Formula:
C11H11Cl2NO
Molecular Weight:
244.1171
IUPAC Name:
5-(3,4-dichlorophenoxy)pentanenitrile
InChI:
InChI=1S/C11H11Cl2NO/c12-10-5-4-9(8-11(10)13)15-7-3-1-2-6-14/h4-5,8H,1-3,7H2
InChI Key:
HMNNLOOOPIMWAI-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1ccc(c(c1)Cl)Cl
Properties
Complexity:
226
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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