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16583-06-5 | 2,3,4,5-Tetrafluorobenzaldehyde
CAS No: 16583-06-5 Catalog No: AG003FDH MDL No:MFCD02683041
Product Description
Catalog Number:
AG003FDH
Chemical Name:
2,3,4,5-Tetrafluorobenzaldehyde
CAS Number:
16583-06-5
Molecular Formula:
C7H2F4O
Molecular Weight:
178.0838
MDL Number:
MFCD02683041
IUPAC Name:
2,3,4,5-tetrafluorobenzaldehyde
InChI:
InChI=1S/C7H2F4O/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1-2H
InChI Key:
UPJHEKIKCNDMEX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(c(c1F)F)F
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.086g/mol
Monoisotopic Mass:
178.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| N-[(4-Carbamoylphen-yl)carbamothio-yl]-2,3,4,5-tetra-fluoro-benzamide. | Acta crystallographica. Section E, Structure reports online 20110301 |
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