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100784-26-7 | 1H-Pyrazole-4-carboxylic acid, 5-(aminosulfonyl)-3-chloro-1-methyl-, ethyl ester
CAS No: 100784-26-7 Catalog No: AG0002V0 MDL No:
Product Description
Catalog Number:
AG0002V0
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-(aminosulfonyl)-3-chloro-1-methyl-, ethyl ester
CAS Number:
100784-26-7
Molecular Formula:
C7H10ClN3O4S
Molecular Weight:
267.6900
IUPAC Name:
ethyl 3-chloro-1-methyl-5-sulfamoylpyrazole-4-carboxylate
InChI:
InChI=1S/C7H10ClN3O4S/c1-3-15-7(12)4-5(8)10-11(2)6(4)16(9,13)14/h3H2,1-2H3,(H2,9,13,14)
InChI Key:
VPTSMJHJEDWLSP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.008g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.684g/mol
Monoisotopic Mass:
267.008g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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