Basic information
- CAS
49558-02-3- Standard SMILES
Cc1c([N+](=O)[O-])no[n+]1[O-]- InChIKey
RGZZPXRWOUTAPT-UHFFFAOYSA-N- Molecular formula
- C3H3N3O4
- Average molar mass
- 145.07 g/mol
- Monoisotopic mass
- 145.01235559
Names & identifiers
- Preferred name
- Furazan, 3-methyl-4-nitro-, 2(or 5)-oxide
- IUPAC
- 3-methyl-4-nitro-2-oxido-1,2,5-oxadiazol-2-ium
- English name
- 1,2,5-Oxadiazole,3-methyl-4-nitro-,2-oxide(9CI)
- Molecular formula
- C3H3N3O4
- Molecular weight
- 145.07
Names & synonyms
FURAZAN, 3-METHYL-4-NITRO-, 2(or 5)-OXIDEDTXSID901978323-Methyl-4-nitro-furoxanBRN 01550913-Methyl-4-nitrofurazan 2(or 5)-oxideRefChem:3458484-27-00-07095 (Beilstein Handbook Reference)DTXCID501203233-methyl-4-nitro-1,2,5-oxadiazole 2-oxide49558-02-3MFCD00463944Furazan, methylnitro-, 2-oxide
Show more names
1,2,5-Oxadiazole, 3-methyl-4-nitro-, 2-oxide1,2,5-Oxadiazole,3-methyl-4-nitro-,2-oxide(9CI)
3-methyl-4-nitro-2-oxido-1,2,5-oxadiazol-2-iumCHEMBL3917651SCHEMBL31439265SCHEMBL31439271STK761544AKOS001013344ST026980SY396937
Database identifiers
- CAS
49558-02-3- PubChem CID
- 39493
- DTXSID
DTXSID90197832- ChEMBL
CHEMBL3917651- Nikkaji
- J399.290J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 264.14 °C · 264.14°C (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
Chemistry & industry
Suppliers5 total
韶远科技(上海)有限公司4000665055 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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