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1000340-74-8

1000340-74-8 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 6-bromo-

CAS No: 1000340-74-8 Catalog No: AG0000EA MDL No:

Product Description

Catalog Number:
AG0000EA
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 6-bromo-
CAS Number:
1000340-74-8
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
IUPAC Name:
6-bromo-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-7-3-5(4-10)6-1-2-11-8(6)12-7/h1-3H,(H,11,12)
InChI Key:
BOZYLNVZPZHGBQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)nc2c1cc[nH]2

Properties

Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.959g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.045g/mol
Monoisotopic Mass:
220.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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