Basic information
- CAS
61885-22-1- Standard SMILES
Cc1c([N+](=O)[O-])c(=O)[nH]n1C- InChIKey
NQDGRFWJFDMVPD-UHFFFAOYSA-N- Molecular formula
- C5H7N3O3
- Average molar mass
- 157.13 g/mol
- Monoisotopic mass
- 157.04874109
Names & identifiers
- Preferred name
- 1,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 2,3-dimethyl-4-nitro-1H-pyrazol-5-one
- English name
- 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-nitro-
- Molecular formula
- C5H7N3O3
- Molecular weight
- 157.13
Names & synonyms
61885-22-11,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-nitro-NSC2911163H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-nitro-SCHEMBL25170908DTXSID20315022NSC-291116DB-324561
Database identifiers
- CAS
61885-22-1- PubChem CID
- 324779
- DTXSID
DTXSID20315022
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 252
Chemistry & industry
Suppliers2 total
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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