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885518-46-7 | 6-Bromo-4-nitro-1H-indazole
CAS No: 885518-46-7 Catalog No: AG0034CC MDL No:MFCD07368216
Product Description
Catalog Number:
AG0034CC
Chemical Name:
6-Bromo-4-nitro-1H-indazole
CAS Number:
885518-46-7
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
MDL Number:
MFCD07368216
IUPAC Name:
6-bromo-4-nitro-1H-indazole
InChI:
InChI=1S/C7H4BrN3O2/c8-4-1-6-5(3-9-10-6)7(2-4)11(12)13/h1-3H,(H,9,10)
InChI Key:
AHEMYGJJCOXPSP-UHFFFAOYSA-N
SMILES:
Brc1cc2[nH]ncc2c(c1)[N+](=O)[O-]
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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