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Home > Fluorides > 132927-08-3
132927-08-3 | Benzonitrile, 2-methoxy-4-(trifluoromethyl)-
CAS No: 132927-08-3 Catalog No: AG0011EP MDL No:MFCD02101784
Product Description
Catalog Number:
AG0011EP
Chemical Name:
Benzonitrile, 2-methoxy-4-(trifluoromethyl)-
CAS Number:
132927-08-3
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD02101784
IUPAC Name:
2-methoxy-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3NO/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-4H,1H3
InChI Key:
IXLCDVCLGOVPBE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C#N)C(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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