Home Aldehydes Benzeneacetaldehyde, α-oxo-4-(trifluoromethyl)-

Benzeneacetaldehyde, α-oxo-4-(trifluoromethyl)-

CAS No.:
1736-56-7
Catalog Number:
AG001Z2A
Molecular Formula:
C9H5F3O2
Molecular Weight:
202.1300
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001Z2A
Chemical Name:
Benzeneacetaldehyde, α-oxo-4-(trifluoromethyl)-
CAS Number:
1736-56-7
Molecular Formula:
C9H5F3O2
Molecular Weight:
202.1300
MDL Number:
MFCD08705869
IUPAC Name:
2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde
InChI:
InChI=1S/C9H5F3O2/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-5H
InChI Key:
BGOMXTCPIUNFKR-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1ccc(cc1)C(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:
202.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.132g/mol
Monoisotopic Mass:
202.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties