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Home > Fluorides > 113844-60-3
113844-60-3 | Benzoic acid, 2,3-dihydroxy-4-(trifluoromethyl)-
CAS No: 113844-60-3 Catalog No: AG0009UW MDL No:
Product Description
Catalog Number:
AG0009UW
Chemical Name:
Benzoic acid, 2,3-dihydroxy-4-(trifluoromethyl)-
CAS Number:
113844-60-3
Molecular Formula:
C8H5F3O4
Molecular Weight:
222.1181
IUPAC Name:
2,3-dihydroxy-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H5F3O4/c9-8(10,11)4-2-1-3(7(14)15)5(12)6(4)13/h1-2,12-13H,(H,14,15)
InChI Key:
CZNMTSLFDOPSIV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1O)O)C(F)(F)F
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.119g/mol
Monoisotopic Mass:
222.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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