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Home > Aldehydes > 111991-22-1
111991-22-1 | 2-[4-(trifluoromethoxy)phenyl]acetaldehyde
CAS No: 111991-22-1 Catalog No: AG01BK52 MDL No:MFCD10696557
Product Description
Catalog Number:
AG01BK52
Chemical Name:
2-[4-(trifluoromethoxy)phenyl]acetaldehyde
CAS Number:
111991-22-1
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD10696557
IUPAC Name:
2-[4-(trifluoromethoxy)phenyl]acetaldehyde
InChI:
InChI=1S/C9H7F3O2/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4,6H,5H2
InChI Key:
BTDPLBOMIMEMKB-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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