2-(3,3-dimethoxypropyl)-6-nitro-2H-indazole

HCID 22036627
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Basic information

CAS
854922-81-9
Standard SMILES
COC(CCn1cc2ccc([N+](=O)[O-])cc2n1)OC
InChIKey
PFANWZHIHOEQDO-UHFFFAOYSA-N
Molecular formula
C12H15N3O4
Average molar mass
265.26 g/mol
Monoisotopic mass
265.10625597

Names & identifiers

Preferred name
2-(3,3-dimethoxypropyl)-6-nitro-2H-indazole
IUPAC
2-(3,3-dimethoxypropyl)-6-nitroindazole

Names & synonyms

2-(3,3-dimethoxypropyl)-6-nitro-2H-indazole854922-81-9SCHEMBL5862108DTXSID70621887PFANWZHIHOEQDO-UHFFFAOYSA-N

Database identifiers

CAS
854922-81-9
PubChem CID
22036627
DTXSID
DTXSID70621887

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
82.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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