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1342077-88-6 | 4-(3,5-Difluoro-phenoxy)butanenitrile
CAS No: 1342077-88-6 Catalog No: AG01FD12 MDL No:
Product Description
Catalog Number:
AG01FD12
Chemical Name:
4-(3,5-Difluoro-phenoxy)butanenitrile
CAS Number:
1342077-88-6
Molecular Formula:
C10H9F2NO
Molecular Weight:
197.1814
IUPAC Name:
4-(3,5-difluorophenoxy)butanenitrile
InChI:
InChI=1S/C10H9F2NO/c11-8-5-9(12)7-10(6-8)14-4-2-1-3-13/h5-7H,1-2,4H2
InChI Key:
FXKJCEDCFUAMRW-UHFFFAOYSA-N
SMILES:
N#CCCCOc1cc(F)cc(c1)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.185g/mol
Monoisotopic Mass:
197.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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