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1000343-84-9 | 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-6-methyl-3-nitro-
CAS No: 1000343-84-9 Catalog No: AG0000M9 MDL No:
Product Description
Catalog Number:
AG0000M9
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-6-methyl-3-nitro-
CAS Number:
1000343-84-9
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
IUPAC Name:
5-bromo-6-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H6BrN3O2/c1-4-6(9)2-5-7(12(13)14)3-10-8(5)11-4/h2-3H,1H3,(H,10,11)
InChI Key:
GCTFWAVAJXTYKT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c2c1cc(Br)c(n2)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/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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