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Home > Fluorides > 1021493-52-6
1021493-52-6 | Methanesulfonic acid, 1,1,1-trifluoro-, 4-formyl-2-methoxy-6-nitrophenyl ester
CAS No: 1021493-52-6 Catalog No: AG0006QV MDL No:
Product Description
Catalog Number:
AG0006QV
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4-formyl-2-methoxy-6-nitrophenyl ester
CAS Number:
1021493-52-6
Molecular Formula:
C9H6F3NO7S
Molecular Weight:
329.2066
IUPAC Name:
(4-formyl-2-methoxy-6-nitrophenyl) trifluoromethanesulfonate
InChI:
InChI=1S/C9H6F3NO7S/c1-19-7-3-5(4-14)2-6(13(15)16)8(7)20-21(17,18)9(10,11)12/h2-4H,1H3
InChI Key:
UJHAJLHOIGFTGF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)c(c(c1)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.982g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.202g/mol
Monoisotopic Mass:
328.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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