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80115-70-4 | 11-fluoro-3,4-dihydrobenzo[rst]pentaphene-3,4-diol
CAS No: 80115-70-4 Catalog No: AG0054N6 MDL No:
Product Description
Catalog Number:
AG0054N6
Chemical Name:
11-fluoro-3,4-dihydrobenzo[rst]pentaphene-3,4-diol
CAS Number:
80115-70-4
Molecular Formula:
C24H15FO2
Molecular Weight:
354.3731
IUPAC Name:
17-fluorohexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,8,10,12(24),13,15,17,19,21-undecaene-5,6-diol
InChI:
InChI=1S/C24H15FO2/c25-15-4-3-12-9-13-1-2-14-10-20-16(7-8-21(26)24(20)27)17-5-6-18(19(12)11-15)22(13)23(14)17/h1-11,21,24,26-27H
InChI Key:
QWHHSTMGUGNJTH-UHFFFAOYSA-N
SMILES:
OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)cc1c2cc(F)cc1
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.106g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.38g/mol
Monoisotopic Mass:
354.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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