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90381-08-1 | 5-Fluoro-2-trifluoromethylbenzaldehyde
CAS No: 90381-08-1 Catalog No: AG003MQI MDL No:MFCD00236276
Product Description
Catalog Number:
AG003MQI
Chemical Name:
5-Fluoro-2-trifluoromethylbenzaldehyde
CAS Number:
90381-08-1
Molecular Formula:
C8H4F4O
Molecular Weight:
192.1104
MDL Number:
MFCD00236276
IUPAC Name:
5-fluoro-2-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4F4O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H
InChI Key:
MITVIZWTPVYRDO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)ccc1C(F)(F)F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.113g/mol
Monoisotopic Mass:
192.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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