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100784-27-8 | 1H-Pyrazole-4-carboxylic acid, 5-(aminosulfonyl)-3-chloro-1-methyl-, methyl ester
CAS No: 100784-27-8 Catalog No: AG0002UZ MDL No:MFCD13152198
Product Description
Catalog Number:
AG0002UZ
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-(aminosulfonyl)-3-chloro-1-methyl-, methyl ester
CAS Number:
100784-27-8
Molecular Formula:
C6H8ClN3O4S
Molecular Weight:
253.6634
MDL Number:
MFCD13152198
IUPAC Name:
methyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate
InChI:
InChI=1S/C6H8ClN3O4S/c1-10-5(15(8,12)13)3(4(7)9-10)6(11)14-2/h1-2H3,(H2,8,12,13)
InChI Key:
PVZNZXMAJKZBCU-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.657g/mol
Monoisotopic Mass:
252.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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