Home Nitriles Benzonitrile, 3-methoxy-2-(trifluoromethyl)-

Benzonitrile, 3-methoxy-2-(trifluoromethyl)-

CAS No.:
1214385-02-0
Catalog Number:
AG0014YG
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
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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  
Properties