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87559-59-9 | 3-fluoro-7,12-dimethyl-5,6-dihydrotetraphene-5,6-diol
CAS No: 87559-59-9 Catalog No: AG004MNI MDL No:
Product Description
Catalog Number:
AG004MNI
Chemical Name:
3-fluoro-7,12-dimethyl-5,6-dihydrotetraphene-5,6-diol
CAS Number:
87559-59-9
Molecular Formula:
C20H17FO2
Molecular Weight:
308.3462
IUPAC Name:
3-fluoro-7,12-dimethyl-5,6-dihydrobenzo[a]anthracene-5,6-diol
InChI:
InChI=1S/C20H17FO2/c1-10-13-5-3-4-6-14(13)11(2)18-17(10)15-8-7-12(21)9-16(15)19(22)20(18)23/h3-9,19-20,22-23H,1-2H3
InChI Key:
VUMAJFMBUUERPG-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)C(O)C(c1c2c(C)c2c(c1C)cccc2)O
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.352g/mol
Monoisotopic Mass:
308.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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