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885519-42-6 | 3,6-Dibromo-4-nitro-1H-indazole
CAS No: 885519-42-6 Catalog No: AG004DBO MDL No:MFCD07781668
Product Description
Catalog Number:
AG004DBO
Chemical Name:
3,6-Dibromo-4-nitro-1H-indazole
CAS Number:
885519-42-6
Molecular Formula:
C7H3Br2N3O2
Molecular Weight:
320.9256
MDL Number:
MFCD07781668
IUPAC Name:
3,6-dibromo-4-nitro-2H-indazole
InChI:
InChI=1S/C7H3Br2N3O2/c8-3-1-4-6(7(9)11-10-4)5(2-3)12(13)14/h1-2H,(H,10,11)
InChI Key:
TZYBWPYNINSHJE-UHFFFAOYSA-N
SMILES:
Brc1cc2[nH]nc(c2c(c1)[N+](=O)[O-])Br
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.857g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.928g/mol
Monoisotopic Mass:
318.859g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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