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Home > Fluorides > 116208-77-6
116208-77-6 | Benzo[k]fluoranthene-2,3-diol, 11-fluoro-2,3-dihydro-
CAS No: 116208-77-6 Catalog No: AG000BWU MDL No:
Product Description
Catalog Number:
AG000BWU
Chemical Name:
Benzo[k]fluoranthene-2,3-diol, 11-fluoro-2,3-dihydro-
CAS Number:
116208-77-6
Molecular Formula:
C20H13FO2
Molecular Weight:
304.3144
IUPAC Name:
8-fluoro-4,5-dihydrobenzo[k]fluoranthene-4,5-diol
InChI:
InChI=1S/C20H13FO2/c21-17-6-1-3-10-7-14-11-4-2-5-12-19(11)16(9-18(22)20(12)23)15(14)8-13(10)17/h1-9,18,20,22-23H
InChI Key:
RIYDEYLGNYBGSV-UHFFFAOYSA-N
SMILES:
OC1C(O)C=C2c3c1cccc3c1c2cc2c(c1)cccc2F
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.32g/mol
Monoisotopic Mass:
304.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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