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198624-12-3 | Methanesulfonic acid, 1,1,1-trifluoro-, 4'-bromo[1,1'-biphenyl]-4-yl ester
CAS No: 198624-12-3 Catalog No: AG002BO9 MDL No:MFCD12913977
Product Description
Catalog Number:
AG002BO9
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4'-bromo[1,1'-biphenyl]-4-yl ester
CAS Number:
198624-12-3
Molecular Formula:
C13H8BrF3O3S
Molecular Weight:
381.1650
MDL Number:
MFCD12913977
IUPAC Name:
[4-(4-bromophenyl)phenyl] trifluoromethanesulfonate
InChI:
InChI=1S/C13H8BrF3O3S/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-21(18,19)13(15,16)17/h1-8H
InChI Key:
LUSPTKXNKWTUFC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ccc(cc1)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.933g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.163g/mol
Monoisotopic Mass:
379.933g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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