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Home > Fluorides > 201225-65-2
201225-65-2 | 2-Penten-4-ynenitrile, 2-methyl-5-phenyl-3-(trifluoromethyl)-
CAS No: 201225-65-2 Catalog No: AG002DAC MDL No:
Product Description
Catalog Number:
AG002DAC
Chemical Name:
2-Penten-4-ynenitrile, 2-methyl-5-phenyl-3-(trifluoromethyl)-
CAS Number:
201225-65-2
Molecular Formula:
C13H8F3N
Molecular Weight:
235.2045
IUPAC Name:
2-methyl-5-phenyl-3-(trifluoromethyl)pent-2-en-4-ynenitrile
InChI:
InChI=1S/C13H8F3N/c1-10(9-17)12(13(14,15)16)8-7-11-5-3-2-4-6-11/h2-6H,1H3
InChI Key:
ZOVXDQBECOOWPK-UHFFFAOYSA-N
SMILES:
N#CC(=C(C(F)(F)F)C#Cc1ccccc1)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.209g/mol
Monoisotopic Mass:
235.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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