Basic information
- CAS
73680-90-7- Standard SMILES
CC1NC1C.O=C(O)c1ccc([N+](=O)[O-])cc1- InChIKey
UEYMKMNGOUZLKL-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- Aziridine, 2,3-dimethyl-compd. with p-nitrobenzoate
- IUPAC
- 2,3-dimethylaziridine;4-nitrobenzoic acid
Names & synonyms
73680-90-7RefChem:1077412Aziridine, 2,3-dimethyl-compd. with p-nitrobenzoateDTXSID109945274-Nitrobenzoic acid--2,3-dimethylaziridine (1/1)
Database identifiers
- CAS
73680-90-7- PubChem CID
- 52160
- DTXSID
DTXSID10994527
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…