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190431-89-1 | Benzenesulfonic acid, 4-bromo-, 9H-fluoren-9-ylmethyl ester
CAS No: 190431-89-1 Catalog No: AG002EK9 MDL No:
Product Description
Catalog Number:
AG002EK9
Chemical Name:
Benzenesulfonic acid, 4-bromo-, 9H-fluoren-9-ylmethyl ester
CAS Number:
190431-89-1
Molecular Formula:
C20H15BrO3S
Molecular Weight:
415.3003
IUPAC Name:
9H-fluoren-9-ylmethyl 4-bromobenzenesulfonate
InChI:
InChI=1S/C20H15BrO3S/c21-14-9-11-15(12-10-14)25(22,23)24-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2
InChI Key:
TZBGOHSUICOCHS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.993g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.301g/mol
Monoisotopic Mass:
413.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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