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Home > Aldehydes > 1352999-98-4
1352999-98-4 | 3-fluoro-5-(trifluoromethoxy)benzaldehyde
CAS No: 1352999-98-4 Catalog No: AG009YBJ MDL No:MFCD18783220
Product Description
Catalog Number:
AG009YBJ
Chemical Name:
3-fluoro-5-(trifluoromethoxy)benzaldehyde
CAS Number:
1352999-98-4
Molecular Formula:
C8H4F4O2
Molecular Weight:
208.1098
MDL Number:
MFCD18783220
IUPAC Name:
3-fluoro-5-(trifluoromethoxy)benzaldehyde
InChI:
InChI=1S/C8H4F4O2/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-4H
InChI Key:
QIBNSINERFPXSF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1)F)OC(F)(F)F
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.112g/mol
Monoisotopic Mass:
208.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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