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Home > Fluorides > 832730-38-8
832730-38-8 | 4-Oxazoleacetonitrile, 2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-
CAS No: 832730-38-8 Catalog No: AG004TBH MDL No:
Product Description
Catalog Number:
AG004TBH
Chemical Name:
4-Oxazoleacetonitrile, 2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-
CAS Number:
832730-38-8
Molecular Formula:
C14H9F3N2O
Molecular Weight:
278.2293
IUPAC Name:
2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]acetonitrile
InChI:
InChI=1S/C14H9F3N2O/c15-14(16,17)11-4-1-10(2-5-11)3-6-13-19-12(7-8-18)9-20-13/h1-6,9H,7H2
InChI Key:
VWMZKHQTPFARIM-UHFFFAOYSA-N
SMILES:
N#CCc1coc(n1)/C=C/c1ccc(cc1)C(F)(F)F
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.234g/mol
Monoisotopic Mass:
278.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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