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1265235-20-8 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, ethyl ester
CAS No: 1265235-20-8 Catalog No: AG000SV2 MDL No:MFCD23135833
Product Description
Catalog Number:
AG000SV2
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, ethyl ester
CAS Number:
1265235-20-8
Molecular Formula:
C17H16N2O4S
Molecular Weight:
344.3849
MDL Number:
MFCD23135833
IUPAC Name:
ethyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C17H16N2O4S/c1-3-23-17(20)15-11-13-5-4-10-18-16(13)19(15)24(21,22)14-8-6-12(2)7-9-14/h4-11H,3H2,1-2H3
InChI Key:
MUVYZWCQIYKAFY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(n1S(=O)(=O)c1ccc(cc1)C)nccc2
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.385g/mol
Monoisotopic Mass:
344.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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