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1000340-56-6

1000340-56-6 | 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-3-iodo-6-methyl-

CAS No: 1000340-56-6 Catalog No: AG0000ES MDL No:

Product Description

Catalog Number:
AG0000ES
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-3-iodo-6-methyl-
CAS Number:
1000340-56-6
Molecular Formula:
C8H6BrIN2
Molecular Weight:
336.9551
IUPAC Name:
4-bromo-3-iodo-6-methyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H6BrIN2/c1-4-2-5(9)7-6(10)3-11-8(7)12-4/h2-3H,1H3,(H,11,12)
InChI Key:
ZJARWKLBXPTOCN-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c2c(n1)[nH]cc2I

Properties

Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.876g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
336.958g/mol
Monoisotopic Mass:
335.876g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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