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Home > Fluorides > 101906-05-2
101906-05-2 | Ethanone, 2,2-dihydroxy-1-[4-(trifluoromethyl)phenyl]-
CAS No: 101906-05-2 Catalog No: AG0005WM MDL No:MFCD05664098
Product Description
Catalog Number:
AG0005WM
Chemical Name:
Ethanone, 2,2-dihydroxy-1-[4-(trifluoromethyl)phenyl]-
CAS Number:
101906-05-2
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD05664098
IUPAC Name:
2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde;hydrate
InChI:
InChI=1S/C9H5F3O2.H2O/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13;/h1-5H;1H2
InChI Key:
XFHIKQUDYLBELB-UHFFFAOYSA-N
SMILES:
OC(C(=O)c1ccc(cc1)C(F)(F)F)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
2
Topological Polar Surface Area:
35.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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