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Home > Fluorides > 1378379-03-3
1378379-03-3 | 2-(3,4,5-Trifluoro-phenoxy)acetonitrile
CAS No: 1378379-03-3 Catalog No: AG01FCCI MDL No:
Product Description
Catalog Number:
AG01FCCI
Chemical Name:
2-(3,4,5-Trifluoro-phenoxy)acetonitrile
CAS Number:
1378379-03-3
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
IUPAC Name:
2-(3,4,5-trifluorophenoxy)acetonitrile
InChI:
InChI=1S/C8H4F3NO/c9-6-3-5(13-2-1-12)4-7(10)8(6)11/h3-4H,2H2
InChI Key:
KAFXGMMTZPQKPI-UHFFFAOYSA-N
SMILES:
N#CCOc1cc(F)c(c(c1)F)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:
187.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.121g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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