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859026-99-6 | Ethyl 4-methyl-3-(trifluoromethyl)benzoate
CAS No: 859026-99-6 Catalog No: AG01FBF8 MDL No:MFCD14698278
Product Description
Catalog Number:
AG01FBF8
Chemical Name:
Ethyl 4-methyl-3-(trifluoromethyl)benzoate
CAS Number:
859026-99-6
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
MDL Number:
MFCD14698278
IUPAC Name:
ethyl 4-methyl-3-(trifluoromethyl)benzoate
InChI:
InChI=1S/C11H11F3O2/c1-3-16-10(15)8-5-4-7(2)9(6-8)11(12,13)14/h4-6H,3H2,1-2H3
InChI Key:
MQNBCCNMNJHRBP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)C(F)(F)F)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.202g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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