200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1198097-28-7
1198097-28-7 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-iodo-1-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS No: 1198097-28-7 Catalog No: AG000PPA MDL No:MFCD13176647
Product Description
Catalog Number:
AG000PPA
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 3-iodo-1-[(4-methylphenyl)sulfonyl]-, methyl ester
CAS Number:
1198097-28-7
Molecular Formula:
C16H13IN2O4S
Molecular Weight:
456.2549
MDL Number:
MFCD13176647
IUPAC Name:
methyl 3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carboxylate
InChI:
InChI=1S/C16H13IN2O4S/c1-10-3-5-11(6-4-10)24(21,22)19-9-13(17)14-12(16(20)23-2)7-8-18-15(14)19/h3-9H,1-2H3
InChI Key:
KGCGRORUTGUHKD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc2c1c(I)cn2S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.964g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.254g/mol
Monoisotopic Mass:
455.964g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.