200,000+ products from a single source!
sales@angenechem.com
117378-04-8 | 1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(methylsulfonyl)-, ethyl ester
CAS No: 117378-04-8 Catalog No: AG000E77 MDL No:
Product Description
Catalog Number:
AG000E77
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(methylsulfonyl)-, ethyl ester
CAS Number:
117378-04-8
Molecular Formula:
C14H16N2O4S
Molecular Weight:
308.3528
IUPAC Name:
ethyl 1-(3-methylphenyl)-5-methylsulfonylpyrazole-4-carboxylate
InChI:
InChI=1S/C14H16N2O4S/c1-4-20-14(17)12-9-15-16(13(12)21(3,18)19)11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3
InChI Key:
BNNQDLLALJEUMD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1S(=O)(=O)C)c1cccc(c1)C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.352g/mol
Monoisotopic Mass:
308.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.