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1443342-58-2 | 5-(3-Chloro-2-fluoro-phenoxy)pentanenitrile
CAS No: 1443342-58-2 Catalog No: AG01FB0U MDL No:
Product Description
Catalog Number:
AG01FB0U
Chemical Name:
5-(3-Chloro-2-fluoro-phenoxy)pentanenitrile
CAS Number:
1443342-58-2
Molecular Formula:
C11H11ClFNO
Molecular Weight:
227.6625
IUPAC Name:
5-(3-chloro-2-fluorophenoxy)pentanenitrile
InChI:
InChI=1S/C11H11ClFNO/c12-9-5-4-6-10(11(9)13)15-8-3-1-2-7-14/h4-6H,1-3,8H2
InChI Key:
PZLMYMXVUCBKBI-UHFFFAOYSA-N
SMILES:
Fc1c(OCCCCC#N)cccc1Cl
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.663g/mol
Monoisotopic Mass:
227.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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