Home Other Building Blocks 4-Trifluoromethylphenylglyoxal hydrate

4-Trifluoromethylphenylglyoxal hydrate

CAS No.:
101906-05-2
Catalog Number:
AG0005WM
Molecular Formula:
C9H7F3O3
Molecular Weight:
220.1453
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$119
- +
5g
96%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG0005WM
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
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
Properties