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1260816-42-9 | Pyridine, 4-bromo-3-nitro-, hydrochloride (1:1)
CAS No: 1260816-42-9 Catalog No: AG000RDC MDL No:MFCD16659847
Product Description
Catalog Number:
AG000RDC
Chemical Name:
Pyridine, 4-bromo-3-nitro-, hydrochloride (1:1)
CAS Number:
1260816-42-9
Molecular Formula:
C5H4BrClN2O2
Molecular Weight:
239.4545
MDL Number:
MFCD16659847
IUPAC Name:
4-bromo-3-nitropyridine;hydrochloride
InChI:
InChI=1S/C5H3BrN2O2.ClH/c6-4-1-2-7-3-5(4)8(9)10;/h1-3H;1H
InChI Key:
OEUXXJASPJSLDW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnccc1Br.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.914g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.453g/mol
Monoisotopic Mass:
237.914g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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