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885519-49-3 | 3,4-Dibromo-6-nitro-1H-indazole
CAS No: 885519-49-3 Catalog No: AG004DBM MDL No:MFCD07781671
Product Description
Catalog Number:
AG004DBM
Chemical Name:
3,4-Dibromo-6-nitro-1H-indazole
CAS Number:
885519-49-3
Molecular Formula:
C7H3Br2N3O2
Molecular Weight:
320.9256
MDL Number:
MFCD07781671
IUPAC Name:
3,4-dibromo-6-nitro-2H-indazole
InChI:
InChI=1S/C7H3Br2N3O2/c8-4-1-3(12(13)14)2-5-6(4)7(9)11-10-5/h1-2H,(H,10,11)
InChI Key:
RNSYHOBEIRWXOE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c2c(c1)[nH]nc2Br
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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