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885521-03-9 | Methyl 3-bromo-4-nitro-1H-indazole-6-carboxylate
CAS No: 885521-03-9 Catalog No: AG004F1H MDL No:MFCD07781723
Product Description
Catalog Number:
AG004F1H
Chemical Name:
Methyl 3-bromo-4-nitro-1H-indazole-6-carboxylate
CAS Number:
885521-03-9
Molecular Formula:
C9H6BrN3O4
Molecular Weight:
300.0656
MDL Number:
MFCD07781723
IUPAC Name:
methyl 3-bromo-4-nitro-2H-indazole-6-carboxylate
InChI:
InChI=1S/C9H6BrN3O4/c1-17-9(14)4-2-5-7(8(10)12-11-5)6(3-4)13(15)16/h2-3H,1H3,(H,11,12)
InChI Key:
HRBWBPNNDZJPGW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]nc(c2c(c1)[N+](=O)[O-])Br
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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