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82846-06-8 | (3s,4s)-7-fluoro-3,4-dihydrotetraphene-3,4-diol
CAS No: 82846-06-8 Catalog No: AG004SM3 MDL No:
Product Description
Catalog Number:
AG004SM3
Chemical Name:
(3s,4s)-7-fluoro-3,4-dihydrotetraphene-3,4-diol
CAS Number:
82846-06-8
Molecular Formula:
C18H13FO2
Molecular Weight:
280.2930
IUPAC Name:
(3S,4S)-7-fluoro-3,4-dihydrobenzo[a]anthracene-3,4-diol
InChI:
InChI=1S/C18H13FO2/c19-17-11-4-2-1-3-10(11)9-15-12-7-8-16(20)18(21)14(12)6-5-13(15)17/h1-9,16,18,20-21H/t16-,18-/m0/s1
InChI Key:
AYSYSODSLPUONT-WMZOPIPTSA-N
SMILES:
O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2ccccc2c1F
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
280.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.298g/mol
Monoisotopic Mass:
280.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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