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Home > Fluorides > 123632-23-5
123632-23-5 | 2-Propenenitrile, 3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-
CAS No: 123632-23-5 Catalog No: AG000KX5 MDL No:
Product Description
Catalog Number:
AG000KX5
Chemical Name:
2-Propenenitrile, 3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-
CAS Number:
123632-23-5
Molecular Formula:
C12H9F4NO
Molecular Weight:
259.1996
IUPAC Name:
3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]prop-2-enenitrile
InChI:
InChI=1S/C12H9F4NO/c13-11(14)12(15,16)8-18-10-5-3-9(4-6-10)2-1-7-17/h1-6,11H,8H2
InChI Key:
LTNRUFFKRWGFKX-UHFFFAOYSA-N
SMILES:
FC(C(COc1ccc(cc1)C=CC#N)(F)F)F
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.204g/mol
Monoisotopic Mass:
259.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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