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73088-07-0 | 2-Bromo-4-nitrophenyl triflate
CAS No: 73088-07-0 Catalog No: AG01EX82 MDL No:MFCD18379772
Product Description
Catalog Number:
AG01EX82
Chemical Name:
2-Bromo-4-nitrophenyl triflate
CAS Number:
73088-07-0
Molecular Formula:
C7H3BrF3NO5S
Molecular Weight:
350.0666
MDL Number:
MFCD18379772
IUPAC Name:
(2-bromo-4-nitrophenyl) trifluoromethanesulfonate
InChI:
InChI=1S/C7H3BrF3NO5S/c8-5-3-4(12(13)14)1-2-6(5)17-18(15,16)7(9,10)11/h1-3H
InChI Key:
ORUKXYYVSSWLDT-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.887g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.062g/mol
Monoisotopic Mass:
348.887g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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