Home Other Building Blocks methyl 2-cyano-4-(trifluoromethyl)benzoate

methyl 2-cyano-4-(trifluoromethyl)benzoate

CAS No.:
61500-86-5
Catalog Number:
AG01EA6Z
Molecular Formula:
C10H6F3NO2
Molecular Weight:
229.1553
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Product Description
Catalog Number:
AG01EA6Z
Chemical Name:
methyl 2-cyano-4-(trifluoromethyl)benzoate
CAS Number:
61500-86-5
Molecular Formula:
C10H6F3NO2
Molecular Weight:
229.1553
MDL Number:
MFCD28782731
IUPAC Name:
methyl 2-cyano-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H6F3NO2/c1-16-9(15)8-3-2-7(10(11,12)13)4-6(8)5-14/h2-4H,1H3
InChI Key:
FVVIVIPXASZNGB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1C#N)C(F)(F)F
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.158g/mol
Monoisotopic Mass:
229.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties