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67515-60-0 | 4-Fluoro-3-(trifluoromethyl)benzaldehyde
CAS No: 67515-60-0 Catalog No: AG0060C7 MDL No:MFCD00061314
Product Description
Catalog Number:
AG0060C7
Chemical Name:
4-Fluoro-3-(trifluoromethyl)benzaldehyde
CAS Number:
67515-60-0
Molecular Formula:
C8H4F4O
Molecular Weight:
192.1104
MDL Number:
MFCD00061314
IUPAC Name:
4-fluoro-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C8H4F4O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H
InChI Key:
BIUDHHGROGJSHN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C(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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