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Home > Nitro Compounds > 1195931-64-6
1195931-64-6 | 2-Methyl-4-nitrophenyl triflate
CAS No: 1195931-64-6 Catalog No: AG01FETU MDL No:MFCD18379769
Product Description
Catalog Number:
AG01FETU
Chemical Name:
2-Methyl-4-nitrophenyl triflate
CAS Number:
1195931-64-6
Molecular Formula:
C8H6F3NO5S
Molecular Weight:
285.1971
MDL Number:
MFCD18379769
IUPAC Name:
(2-methyl-4-nitrophenyl) trifluoromethanesulfonate
InChI:
InChI=1S/C8H6F3NO5S/c1-5-4-6(12(13)14)2-3-7(5)17-18(15,16)8(9,10)11/h2-4H,1H3
InChI Key:
YDQOJSHTMRJPQM-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.992g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.193g/mol
Monoisotopic Mass:
284.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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