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1111637-94-5

1111637-94-5 | 5-Bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine

CAS No: 1111637-94-5 Catalog No: AG003MIH MDL No:MFCD15529125

Product Description

Catalog Number:
AG003MIH
Chemical Name:
5-Bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine
CAS Number:
1111637-94-5
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
MDL Number:
MFCD15529125
IUPAC Name:
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H7BrN2/c1-5-3-10-8-7(5)2-6(9)4-11-8/h2-4H,1H3,(H,10,11)
InChI Key:
KFXLHKPTNMYOLR-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)c(C)c[nH]2

Properties

Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.979g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.062g/mol
Monoisotopic Mass:
209.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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