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Home > Fluorides > 139953-13-2
139953-13-2 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-(3-methyl-3H-diazirin-3-yl)ethyl ester
CAS No: 139953-13-2 Catalog No: AG001BUU MDL No:
Product Description
Catalog Number:
AG001BUU
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-(3-methyl-3H-diazirin-3-yl)ethyl ester
CAS Number:
139953-13-2
Molecular Formula:
C5H7F3N2O3S
Molecular Weight:
232.1809
IUPAC Name:
2-(3-methyldiazirin-3-yl)ethyl trifluoromethanesulfonate
InChI:
InChI=1S/C5H7F3N2O3S/c1-4(9-10-4)2-3-13-14(11,12)5(6,7)8/h2-3H2,1H3
InChI Key:
JKFYYFLHTDEMAR-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)OCCC1(C)N=N1)(F)F
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.177g/mol
Monoisotopic Mass:
232.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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