Basic information
- CAS
1901-10-6- Standard SMILES
O=C(c1ccc([N+](=O)[O-])o1)N(CCCl)CCCl- InChIKey
WJJZNPNWOODGMS-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2N2O4
- Average molar mass
- 281.09 g/mol
- Monoisotopic mass
- 280.0017622
Names & identifiers
- Preferred name
- 2-Furamide, N,N-bis(2-chloroethyl)-5-nitro-
- IUPAC
- N,N-bis(2-chloroethyl)-5-nitrofuran-2-carboxamide
- English name
- N,N-Bis(2-chloroethyl)-5-nitro-2-furancarboxamide
- Molecular formula
- C9H10Cl2N2O4
- Molecular weight
- 281.09
Names & synonyms
2-FURAMIDE, N,N-BIS(2-CHLOROETHYL)-5-NITRO-BRN 1389095N,N-Bis(2-chloroethyl)-5-nitro-2-furamide1901-10-6DTXSID40172477RefChem:261194DTXCID8094968N,N-bis(2-chloroethyl)-5-nitrofuran-2-carboxamideN,N-Bis(2-chloroethyl)-5-nitro-2-furancarboxamide2-Furancarboxamide, N,N-bis(2-chloroethyl)-5-nitro-
Database identifiers
- CAS
1901-10-6- PubChem CID
- 15925
- DTXSID
DTXSID40172477- Nikkaji
- J75.449H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 56 · 56-58 °C
- Boiling point
- 436.6 · 436.6±45.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- -2.86 · -2.86±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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