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1174307-32-4 | 3-Chloropyridazine trifluoromethanesulfonate
CAS No: 1174307-32-4 Catalog No: AG01FLTM MDL No:MFCD09881376
Product Description
Catalog Number:
AG01FLTM
Chemical Name:
3-Chloropyridazine trifluoromethanesulfonate
CAS Number:
1174307-32-4
Molecular Formula:
C5H4ClF3N2O3S
Molecular Weight:
264.6101
MDL Number:
MFCD09881376
IUPAC Name:
3-chloropyridazine;trifluoromethanesulfonic acid
InChI:
InChI=1S/C4H3ClN2.CHF3O3S/c5-4-2-1-3-6-7-4;2-1(3,4)8(5,6)7/h1-3H;(H,5,6,7)
InChI Key:
ASLVTOIDNBMCCP-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)C(F)(F)F.Clc1cccnn1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.958g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.603g/mol
Monoisotopic Mass:
263.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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