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125872-95-9

125872-95-9 | 1H-Indole, 6-bromo-1-methyl-

CAS No: 125872-95-9 Catalog No: AG000OWH MDL No:MFCD08543444

Product Description

Catalog Number:
AG000OWH
Chemical Name:
1H-Indole, 6-bromo-1-methyl-
CAS Number:
125872-95-9
Molecular Formula:
C9H8BrN
Molecular Weight:
210.0705
MDL Number:
MFCD08543444
IUPAC Name:
6-bromo-1-methylindole
InChI:
InChI=1S/C9H8BrN/c1-11-5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3
InChI Key:
PXHJDPPKNUGKPM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n(C)cc2

Properties

Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.984g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.074g/mol
Monoisotopic Mass:
208.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Literature

Title Journal
Highly enantioselective trapping of zwitterionic intermediates by imines. Nature chemistry 20120901

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