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1250074-05-5 | 5-(2-Chloro-4-fluoro-phenoxy)pentanenitrile
CAS No: 1250074-05-5 Catalog No: AG01FAVW MDL No:
Product Description
Catalog Number:
AG01FAVW
Chemical Name:
5-(2-Chloro-4-fluoro-phenoxy)pentanenitrile
CAS Number:
1250074-05-5
Molecular Formula:
C11H11ClFNO
Molecular Weight:
227.6625
IUPAC Name:
5-(2-chloro-4-fluorophenoxy)pentanenitrile
InChI:
InChI=1S/C11H11ClFNO/c12-10-8-9(13)4-5-11(10)15-7-3-1-2-6-14/h4-5,8H,1-3,7H2
InChI Key:
BDADZMHKDICUPI-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1ccc(cc1Cl)F
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:
3.6
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