200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1227270-51-0
1227270-51-0 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-methyl-1-(phenylsulfonyl)-
CAS No: 1227270-51-0 Catalog No: AG000J6C MDL No:
Product Description
Catalog Number:
AG000J6C
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 6-methyl-1-(phenylsulfonyl)-
CAS Number:
1227270-51-0
Molecular Formula:
C15H12N2O4S
Molecular Weight:
316.3318
IUPAC Name:
1-(benzenesulfonyl)-6-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
InChI:
InChI=1S/C15H12N2O4S/c1-10-7-8-11-9-13(15(18)19)17(14(11)16-10)22(20,21)12-5-3-2-4-6-12/h2-9H,1H3,(H,18,19)
InChI Key:
DLEYHIOVTMLJGF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)n(c(c2)C(=O)O)S(=O)(=O)c1ccccc1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.331g/mol
Monoisotopic Mass:
316.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.