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Home > Fluorides > 189755-42-8
189755-42-8 | Heptanenitrile, 7-fluoro-7-(phenylsulfinyl)-
CAS No: 189755-42-8 Catalog No: AG002DXV MDL No:
Product Description
Catalog Number:
AG002DXV
Chemical Name:
Heptanenitrile, 7-fluoro-7-(phenylsulfinyl)-
CAS Number:
189755-42-8
Molecular Formula:
C13H16FNOS
Molecular Weight:
253.3356
IUPAC Name:
7-(benzenesulfinyl)-7-fluoroheptanenitrile
InChI:
InChI=1S/C13H16FNOS/c14-13(10-6-1-2-7-11-15)17(16)12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10H2
InChI Key:
PQYDCTQLYNNBOV-UHFFFAOYSA-N
SMILES:
FC(S(=O)c1ccccc1)CCCCCC#N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.335g/mol
Monoisotopic Mass:
253.094g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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