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1260659-24-2 | 1H-Pyrazole-3-carboxylic acid, 5-(chlorosulfonyl)-1-ethyl-, methyl ester
CAS No: 1260659-24-2 Catalog No: AG000QZV MDL No:MFCD18262381
Product Description
Catalog Number:
AG000QZV
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(chlorosulfonyl)-1-ethyl-, methyl ester
CAS Number:
1260659-24-2
Molecular Formula:
C7H9ClN2O4S
Molecular Weight:
252.6754
MDL Number:
MFCD18262381
IUPAC Name:
methyl 5-chlorosulfonyl-1-ethylpyrazole-3-carboxylate
InChI:
InChI=1S/C7H9ClN2O4S/c1-3-10-6(15(8,12)13)4-5(9-10)7(11)14-2/h4H,3H2,1-2H3
InChI Key:
YIPZCIVVMXJKGO-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(c(c1)S(=O)(=O)Cl)CC
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.997g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.669g/mol
Monoisotopic Mass:
251.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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