200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 1227269-08-0
1227269-08-0 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 5-bromo-6-methyl-1-(phenylsulfonyl)-
CAS No: 1227269-08-0 Catalog No: AG000J42 MDL No:
Product Description
Catalog Number:
AG000J42
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 5-bromo-6-methyl-1-(phenylsulfonyl)-
CAS Number:
1227269-08-0
Molecular Formula:
C15H11BrN2O3S
Molecular Weight:
379.2284
IUPAC Name:
1-(benzenesulfonyl)-5-bromo-6-methylpyrrolo[2,3-b]pyridine-2-carbaldehyde
InChI:
InChI=1S/C15H11BrN2O3S/c1-10-14(16)8-11-7-12(9-19)18(15(11)17-10)22(20,21)13-5-3-2-4-6-13/h2-9H,1H3
InChI Key:
XMOCFAKVUYPOEK-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1S(=O)(=O)c1ccccc1)nc(c(c2)Br)C
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.967g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.228g/mol
Monoisotopic Mass:
377.967g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^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.