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87559-66-8 | 8-fluoro-5-methoxy-7,12-dimethyl-5,6-dihydrotetraphen-6-ol
CAS No: 87559-66-8 Catalog No: AG004MEI MDL No:
Product Description
Catalog Number:
AG004MEI
Chemical Name:
8-fluoro-5-methoxy-7,12-dimethyl-5,6-dihydrotetraphen-6-ol
CAS Number:
87559-66-8
Molecular Formula:
C21H19FO2
Molecular Weight:
322.3728
IUPAC Name:
8-fluoro-5-methoxy-7,12-dimethyl-5,6-dihydrobenzo[a]anthracen-6-ol
InChI:
InChI=1S/C21H19FO2/c1-11-13-9-6-10-16(22)17(13)12(2)19-18(11)14-7-4-5-8-15(14)21(24-3)20(19)23/h4-10,20-21,23H,1-3H3
InChI Key:
WIQBVCITEYPJQG-UHFFFAOYSA-N
SMILES:
COC1c2ccccc2c2c(C1O)c(C)c1c(c2C)cccc1F
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.379g/mol
Monoisotopic Mass:
322.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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