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87559-72-6 | 5-fluoro-7,12-dimethyl-8,9-dihydrotetraphene-8,9-diol
CAS No: 87559-72-6 Catalog No: AG004JAV MDL No:
Product Description
Catalog Number:
AG004JAV
Chemical Name:
5-fluoro-7,12-dimethyl-8,9-dihydrotetraphene-8,9-diol
CAS Number:
87559-72-6
Molecular Formula:
C20H17FO2
Molecular Weight:
308.3462
IUPAC Name:
5-fluoro-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
InChI:
InChI=1S/C20H17FO2/c1-10-12-7-8-17(22)20(23)19(12)11(2)15-9-16(21)13-5-3-4-6-14(13)18(10)15/h3-9,17,20,22-23H,1-2H3
InChI Key:
ZNQFWDSJTHNILY-UHFFFAOYSA-N
SMILES:
OC1C=Cc2c(C1O)c(C)c1c(c2C)c2ccccc2c(c1)F
Properties
Complexity:
478
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:
4.1
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