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885519-75-5 | Methyl 3-bromo-6-nitro-1H-indazole-4-carboxylate
CAS No: 885519-75-5 Catalog No: AG004CPN MDL No:MFCD07781684
Product Description
Catalog Number:
AG004CPN
Chemical Name:
Methyl 3-bromo-6-nitro-1H-indazole-4-carboxylate
CAS Number:
885519-75-5
Molecular Formula:
C9H6BrN3O4
Molecular Weight:
300.0656
MDL Number:
MFCD07781684
IUPAC Name:
methyl 3-bromo-6-nitro-2H-indazole-4-carboxylate
InChI:
InChI=1S/C9H6BrN3O4/c1-17-9(14)5-2-4(13(15)16)3-6-7(5)8(10)12-11-6/h2-3H,1H3,(H,11,12)
InChI Key:
YXRTZIUWOQYVOA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc2c1c(Br)n[nH]2)[N+](=O)[O-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.954g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.068g/mol
Monoisotopic Mass:
298.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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