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1261365-67-6 | 5-Bromo-1-(phenylsulfonyl)-1H-pyrrolo-[2,3-b]pyridine-2-carbaldehyde
CAS No: 1261365-67-6 Catalog No: AG00A5I5 MDL No:MFCD18374134
Product Description
Catalog Number:
AG00A5I5
Chemical Name:
5-Bromo-1-(phenylsulfonyl)-1H-pyrrolo-[2,3-b]pyridine-2-carbaldehyde
CAS Number:
1261365-67-6
Molecular Formula:
C14H9BrN2O3S
Molecular Weight:
365.2019
MDL Number:
MFCD18374134
IUPAC Name:
1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-2-carbaldehyde
InChI:
InChI=1S/C14H9BrN2O3S/c15-11-6-10-7-12(9-18)17(14(10)16-8-11)21(19,20)13-4-2-1-3-5-13/h1-9H
InChI Key:
ZJSMGCHOKHJIFB-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1S(=O)(=O)c1ccccc1)ncc(c2)Br
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.952g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.201g/mol
Monoisotopic Mass:
363.952g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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