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16840-25-8 | 1,3-Benzenediol, 2,4,5,6-tetrafluoro-
CAS No: 16840-25-8 Catalog No: AG001Y1A MDL No:MFCD00040202
Product Description
Catalog Number:
AG001Y1A
Chemical Name:
1,3-Benzenediol, 2,4,5,6-tetrafluoro-
CAS Number:
16840-25-8
Molecular Formula:
C6H2F4O2
Molecular Weight:
182.0725
MDL Number:
MFCD00040202
IUPAC Name:
2,4,5,6-tetrafluorobenzene-1,3-diol
InChI:
InChI=1S/C6H2F4O2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H
InChI Key:
NLQBQVXMWOFCAU-UHFFFAOYSA-N
SMILES:
Oc1c(F)c(O)c(c(c1F)F)F
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.074g/mol
Monoisotopic Mass:
181.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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