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Home > Fluorides > 1214385-02-0
1214385-02-0 | Benzonitrile, 3-methoxy-2-(trifluoromethyl)-
CAS No: 1214385-02-0 Catalog No: AG0014YG MDL No:MFCD13185684
Product Description
Catalog Number:
AG0014YG
Chemical Name:
Benzonitrile, 3-methoxy-2-(trifluoromethyl)-
CAS Number:
1214385-02-0
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD13185684
IUPAC Name:
3-methoxy-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3NO/c1-14-7-4-2-3-6(5-13)8(7)9(10,11)12/h2-4H,1H3
InChI Key:
NLDWWTZVPASWAX-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(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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