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146603-30-7 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
CAS No: 146603-30-7 Catalog No: AG001E61 MDL No:MFCD15529575
Product Description
Catalog Number:
AG001E61
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
CAS Number:
146603-30-7
Molecular Formula:
C16H14N2O4S
Molecular Weight:
330.3584
MDL Number:
MFCD15529575
IUPAC Name:
ethyl 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C16H14N2O4S/c1-2-22-16(19)14-11-12-7-6-10-17-15(12)18(14)23(20,21)13-8-4-3-5-9-13/h3-11H,2H2,1H3
InChI Key:
BRSSBYOXGZEQBP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)nccc2
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.067g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.358g/mol
Monoisotopic Mass:
330.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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