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Home > Fluorides > 1307520-98-4
1307520-98-4 | 5-[3-(Trifluoromethyl)-phenoxy]pentanenitrile
CAS No: 1307520-98-4 Catalog No: AG01FAAL MDL No:
Product Description
Catalog Number:
AG01FAAL
Chemical Name:
5-[3-(Trifluoromethyl)-phenoxy]pentanenitrile
CAS Number:
1307520-98-4
Molecular Formula:
C12H12F3NO
Molecular Weight:
243.2250
IUPAC Name:
5-[3-(trifluoromethyl)phenoxy]pentanenitrile
InChI:
InChI=1S/C12H12F3NO/c13-12(14,15)10-5-4-6-11(9-10)17-8-3-1-2-7-16/h4-6,9H,1-3,8H2
InChI Key:
VZHJMDCXXBFQCO-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1cccc(c1)C(F)(F)F
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.229g/mol
Monoisotopic Mass:
243.087g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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