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1000340-70-4

1000340-70-4 | 1H-Pyrrolo[2,3-b]pyridine, 6-bromo-4-nitro-

CAS No: 1000340-70-4 Catalog No: AG0000EE MDL No:

Product Description

Catalog Number:
AG0000EE
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 6-bromo-4-nitro-
CAS Number:
1000340-70-4
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
IUPAC Name:
6-bromo-4-nitro-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C7H4BrN3O2/c8-6-3-5(11(12)13)4-1-2-9-7(4)10-6/h1-3H,(H,9,10)
InChI Key:
UFGYCSWXPJGXDT-UHFFFAOYSA-N
SMILES:
Brc1nc2[nH]ccc2c(c1)[N+](=O)[O-]

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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