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90176-80-0 | 4-Fluoro-2-(Trifluoromethyl)Benzaldehyde
CAS No: 90176-80-0 Catalog No: AG00340Z MDL No:MFCD00061313
Product Description
Catalog Number:
AG00340Z
Chemical Name:
4-Fluoro-2-(Trifluoromethyl)Benzaldehyde
CAS Number:
90176-80-0
Molecular Formula:
C8H4F4O2
Molecular Weight:
208.1098
MDL Number:
MFCD00061313
IUPAC Name:
4-fluoro-2-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4F4O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-4H
InChI Key:
NONOHEMDNFTKCZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1OC(F)(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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