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Home > Fluorides > 1003843-90-0
1003843-90-0 | Benzoic acid, 3-methoxy-5-(trifluoromethyl)-, methyl ester
CAS No: 1003843-90-0 Catalog No: AG0001TS MDL No:MFCD14698061
Product Description
Catalog Number:
AG0001TS
Chemical Name:
Benzoic acid, 3-methoxy-5-(trifluoromethyl)-, methyl ester
CAS Number:
1003843-90-0
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
MDL Number:
MFCD14698061
IUPAC Name:
methyl 3-methoxy-5-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H9F3O3/c1-15-8-4-6(9(14)16-2)3-7(5-8)10(11,12)13/h3-5H,1-2H3
InChI Key:
XMNNYFLRCFJXHH-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(F)(F)F)C(=O)OC
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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