Home Fluorides 101906-05-2
101906-05-2,MFCD08705869
Catalog No.:AA0005TU
101906-05-2 | 4-Trifluoromethylphenylglyoxal hydrate
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1g
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$136.00   $95.00
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5g
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  • Technical Information
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Technical Information
Catalog Number:
AA0005TU
Chemical Name:
4-Trifluoromethylphenylglyoxal hydrate
CAS Number:
101906-05-2
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
MDL Number:
MFCD08705869
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
Computed 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

Synonyms
 
4-Trifluoromethylphenylglyoxal hydrate 
101906-05-2 
KS-00000PIG 
ZX-AP008598 
ANW-60104 
SBB095903 
AKOS005254482 
AB48662 
DS-3502 
PC10550 
RP05146 
AX8223106 
2-OXO-2-(4-(TRIFLUOROMETHYL)PHENYL)ACETALDEHYDE HYDRATE 
ST2404529 
TC-148849 
TR-035920 
4CH-017718 
FT-0767424 
Y7827 
C-6401 
Benzeneacetaldehyde, a-oxo-4-(trifluoromethyl)- 
J-513928 
2-oxo-2-[4-(trifluoromethyl)phenyl]ethanal, hydrate 
4-(Trifluoromethyl)phenylglyoxal hydrate 
I14-30612 
4-(Trifluoromethyl)Phenylglyoxal Hydrate, Dry wt. Basis 
C9H7F3O3 
CID2783285 
1736-56-7 
2-Oxo-2-(4-(trifluoromethyl)phenyl)acetaldehyde 
2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde Hydrate 
AK-10029 
1049746-22-6 
ACMC-1BTYL 
AC1MD46N 
CTK4D4715 
Literature
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