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16420-30-7 | Pyridine, 2-bromo-3,5-dinitro-
CAS No: 16420-30-7 Catalog No: AG001UPO MDL No:MFCD00691382
Product Description
Catalog Number:
AG001UPO
Chemical Name:
Pyridine, 2-bromo-3,5-dinitro-
CAS Number:
16420-30-7
Molecular Formula:
C5H2BrN3O4
Molecular Weight:
247.9911
MDL Number:
MFCD00691382
IUPAC Name:
2-bromo-3,5-dinitropyridine
InChI:
InChI=1S/C5H2BrN3O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H
InChI Key:
DTSYPWHCOVBOLN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(c(c1)[N+](=O)[O-])Br
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.923g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.992g/mol
Monoisotopic Mass:
246.923g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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