Home Aldehydes 2-(2,2,2-trifluoroethyl)benzaldehyde

2-(2,2,2-trifluoroethyl)benzaldehyde

CAS No.:
158884-42-5
Catalog Number:
AG01BXSL
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
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Product Description
Catalog Number:
AG01BXSL
Chemical Name:
2-(2,2,2-trifluoroethyl)benzaldehyde
CAS Number:
158884-42-5
Molecular Formula:
C9H7F3O
Molecular Weight:
188.1465
MDL Number:
MFCD22548082
IUPAC Name:
2-(2,2,2-trifluoroethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3O/c10-9(11,12)5-7-3-1-2-4-8(7)6-13/h1-4,6H,5H2
InChI Key:
CEKKMSUOUICUDO-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1CC(F)(F)F
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.149g/mol
Monoisotopic Mass:
188.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties