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Home > Fluorides > 179633-60-4
179633-60-4 | Benzoic acid, 3-hydroxy-, 2,2,2-trifluoroethyl ester
CAS No: 179633-60-4 Catalog No: AG00275L MDL No:
Product Description
Catalog Number:
AG00275L
Chemical Name:
Benzoic acid, 3-hydroxy-, 2,2,2-trifluoroethyl ester
CAS Number:
179633-60-4
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
IUPAC Name:
2,2,2-trifluoroethyl 3-hydroxybenzoate
InChI:
InChI=1S/C9H7F3O3/c10-9(11,12)5-15-8(14)6-2-1-3-7(13)4-6/h1-4,13H,5H2
InChI Key:
ZMJPYRFGQUIKOZ-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C(=O)OCC(F)(F)F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.147g/mol
Monoisotopic Mass:
220.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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