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129012-04-0 | 2,3-Pyridinediamine, 6-bromo-
CAS No: 129012-04-0 Catalog No: AG000YS1 MDL No:MFCD10697695
Product Description
Catalog Number:
AG000YS1
Chemical Name:
2,3-Pyridinediamine, 6-bromo-
CAS Number:
129012-04-0
Molecular Formula:
C5H6BrN3
Molecular Weight:
188.0252
MDL Number:
MFCD10697695
IUPAC Name:
6-bromopyridine-2,3-diamine
InChI:
InChI=1S/C5H6BrN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
InChI Key:
LWXOPWFJTFAZRO-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(n1)N)N
Properties
Complexity:
98.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.028g/mol
Monoisotopic Mass:
186.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| {6,6'-Dimeth-oxy-2,2'-[6-bromo-pyridine-2,3-diylbis(nitrilo-methyl-idyne)]-diphenol-ato}-copper(II) methanol solvate. | Acta crystallographica. Section E, Structure reports online 20090301 |
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