Home Halogens N-Tosyl-4-bromo-2-iodo-7-azaindole

N-Tosyl-4-bromo-2-iodo-7-azaindole

CAS No.:
480423-17-4
Catalog Number:
AG00D809
Molecular Formula:
C14H10BrIN2O2S
Molecular Weight:
477.1149
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Product Description
Catalog Number:
AG00D809
Chemical Name:
N-Tosyl-4-bromo-2-iodo-7-azaindole
CAS Number:
480423-17-4
Molecular Formula:
C14H10BrIN2O2S
Molecular Weight:
477.1149
MDL Number:
MFCD11109388
IUPAC Name:
4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H10BrIN2O2S/c1-9-2-4-10(5-3-9)21(19,20)18-13(16)8-11-12(15)6-7-17-14(11)18/h2-8H,1H3
InChI Key:
KYVSBRIXLHDOBQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1c(I)cc2c1nccc2Br
Properties
Complexity:
476  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.869g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.114g/mol
Monoisotopic Mass:
475.869g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties