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1014-81-9 | Benzoic acid, 3-(trifluoromethoxy)-
CAS No: 1014-81-9 Catalog No: AG0004EW MDL No:MFCD00041501
Product Description
Catalog Number:
AG0004EW
Chemical Name:
Benzoic acid, 3-(trifluoromethoxy)-
CAS Number:
1014-81-9
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD00041501
IUPAC Name:
3-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI Key:
OKPFIWIMBJNFSE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)OC(F)(F)F
EC Number:
213-802-2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.12g/mol
Monoisotopic Mass:
206.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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