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1005632-94-9 | 5-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-4-SULFONYL CHLORIDE
CAS No: 1005632-94-9 Catalog No: AG01ANZQ MDL No:MFCD04971140
Product Description
Catalog Number:
AG01ANZQ
Chemical Name:
5-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-ISOXAZOLE-4-SULFONYL CHLORIDE
CAS Number:
1005632-94-9
Molecular Formula:
C8H8ClN3O3S
Molecular Weight:
261.6854
MDL Number:
MFCD04971140
IUPAC Name:
5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-4-sulfonyl chloride
InChI:
InChI=1S/C8H8ClN3O3S/c1-5-6(4-12(2)11-5)8-7(3-10-15-8)16(9,13)14/h3-4H,1-2H3
InChI Key:
ABJPLTWVTQPJMI-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)c1oncc1S(=O)(=O)Cl)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.997g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.68g/mol
Monoisotopic Mass:
260.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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