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Home > Fluorides > 1000555-32-7
1000555-32-7 | Benzeneacetonitrile, 4-methoxy-3-(trifluoromethyl)-
CAS No: 1000555-32-7 Catalog No: AG0000QF MDL No:MFCD09832301
Product Description
Catalog Number:
AG0000QF
Chemical Name:
Benzeneacetonitrile, 4-methoxy-3-(trifluoromethyl)-
CAS Number:
1000555-32-7
Molecular Formula:
C10H8F3NO
Molecular Weight:
215.1718
MDL Number:
MFCD09832301
IUPAC Name:
2-[4-methoxy-3-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C10H8F3NO/c1-15-9-3-2-7(4-5-14)6-8(9)10(11,12)13/h2-3,6H,4H2,1H3
InChI Key:
DJRVULCEMUTQLB-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)C(F)(F)F)OC
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:
2.4
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