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Home > Fluorides > 1261573-73-2
1261573-73-2 | Benzeneacetonitrile, 4-methyl-2-(trifluoromethoxy)-
CAS No: 1261573-73-2 Catalog No: AG000RUT MDL No:
Product Description
Catalog Number:
AG000RUT
Chemical Name:
Benzeneacetonitrile, 4-methyl-2-(trifluoromethoxy)-
CAS Number:
1261573-73-2
Molecular Formula:
C10H8F3NO
Molecular Weight:
215.1718
IUPAC Name:
2-[4-methyl-2-(trifluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C10H8F3NO/c1-7-2-3-8(4-5-14)9(6-7)15-10(11,12)13/h2-3,6H,4H2,1H3
InChI Key:
UQGIEASMXXCFHW-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1OC(F)(F)F)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.175g/mol
Monoisotopic Mass:
215.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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