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1240286-88-7 | 4-Bromo-3-fluorobenzyl methanesulfonate
CAS No: 1240286-88-7 Catalog No: AG01FC8T MDL No:
Product Description
Catalog Number:
AG01FC8T
Chemical Name:
4-Bromo-3-fluorobenzyl methanesulfonate
CAS Number:
1240286-88-7
Molecular Formula:
C8H8BrFO3S
Molecular Weight:
283.1147
IUPAC Name:
(4-bromo-3-fluorophenyl)methyl methanesulfonate
InChI:
InChI=1S/C8H8BrFO3S/c1-14(11,12)13-5-6-2-3-7(9)8(10)4-6/h2-4H,5H2,1H3
InChI Key:
UPAZZSQNGYEFFA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1F)COS(=O)(=O)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.936g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.111g/mol
Monoisotopic Mass:
281.936g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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