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Home > Fluorides > 1250563-08-6
1250563-08-6 | 5-(3,4-Difluoro-phenoxy)pentanenitrile
CAS No: 1250563-08-6 Catalog No: AG01FCL8 MDL No:
Product Description
Catalog Number:
AG01FCL8
Chemical Name:
5-(3,4-Difluoro-phenoxy)pentanenitrile
CAS Number:
1250563-08-6
Molecular Formula:
C11H11F2NO
Molecular Weight:
211.2079
IUPAC Name:
5-(3,4-difluorophenoxy)pentanenitrile
InChI:
InChI=1S/C11H11F2NO/c12-10-5-4-9(8-11(10)13)15-7-3-1-2-6-14/h4-5,8H,1-3,7H2
InChI Key:
AXOXHTQSMZYQMP-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1ccc(c(c1)F)F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.212g/mol
Monoisotopic Mass:
211.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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