1-Benzyl-5-nitro-1,2-dihydro-3h-indazol-3-one
Basic information
- CAS
2215-59-0- Standard SMILES
O=c1[nH]n(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12- InChIKey
MWUWHJNIEUTQSJ-UHFFFAOYSA-N- Molecular formula
- C14H11N3O3
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.08004122
Names & identifiers
- Preferred name
- 1-Benzyl-5-nitro-1,2-dihydro-3h-indazol-3-one
- IUPAC
- 1-benzyl-5-nitro-2H-indazol-3-one
Names & synonyms
NSC6758221-benzyl-5-nitro-1,2-dihydro-3h-indazol-3-one2215-59-01-benzyl-5-nitro-2H-indazol-3-oneSCHEMBL3646520SCHEMBL5608839CHEMBL1995016MWUWHJNIEUTQSJ-UHFFFAOYSA-NDTXSID601215004AB44974NSC-675822NCI60_026765
Show more names
1-benzyl-5-nitro-1,2-dihydro-indazol-3-one1-BENZYL-1,2-DIHYDRO-5-NITROINDAZOL-3-ONE1,2-Dihydro-5-nitro-1-(phenylmethyl)-3H-indazol-3-one1-Benzyl-5-(hydroxy(oxido)amino)-1,2-dihydro-3H-indazol-3-one
Database identifiers
- CAS
2215-59-0- PubChem CID
- 384995
- DTXSID
DTXSID601215004- ChEMBL
CHEMBL1995016- Nikkaji
- J728.318K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
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Related reactions
3 records
Compound notes
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