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Home > Fluorides > 875664-48-5
875664-48-5 | 4-Methoxy-2-(trifluoromethyl);benzonitrile
CAS No: 875664-48-5 Catalog No: AG004ME8 MDL No:MFCD06797342
Product Description
Catalog Number:
AG004ME8
Chemical Name:
4-Methoxy-2-(trifluoromethyl);benzonitrile
CAS Number:
875664-48-5
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD06797342
IUPAC Name:
4-methoxy-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3NO/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-4H,1H3
InChI Key:
FNPSTMJRNVUTJV-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(F)(F)F)C#N
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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