Home Other Building Blocks METHYL 3-METHYL-2-(TRIFLUOROMETHYL)BENZOATE

METHYL 3-METHYL-2-(TRIFLUOROMETHYL)BENZOATE

CAS No.:
1214378-85-4
Catalog Number:
AG01DSSM
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
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Product Description
Catalog Number:
AG01DSSM
Chemical Name:
METHYL 3-METHYL-2-(TRIFLUOROMETHYL)BENZOATE
CAS Number:
1214378-85-4
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD14698070
IUPAC Name:
methyl 3-methyl-2-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H9F3O2/c1-6-4-3-5-7(9(14)15-2)8(6)10(11,12)13/h3-5H,1-2H3
InChI Key:
BGCOOPQKRQPGPK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1C(F)(F)F)C
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties