(2-Benzylaziridin-1-yl)(4-nitrophenyl)methanone
Basic information
- CAS
25022-59-7- Standard SMILES
O=C(c1ccc([N+](=O)[O-])cc1)N1CC1Cc1ccccc1- InChIKey
ZIHYCLMAEVWULI-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.10044231
Names & identifiers
- Preferred name
- (2-Benzylaziridin-1-yl)(4-nitrophenyl)methanone
- IUPAC
- (2-benzylaziridin-1-yl)-(4-nitrophenyl)methanone
Names & synonyms
(2-benzylaziridin-1-yl)(4-nitrophenyl)methanone25022-59-7DTXSID80301183RefChem:205794DTXCID70252317NSC141645Methanone,(4-nitrophenyl)[2-(phenylmethyl)-1-aziridinyl]-N-p-nitrobenzoyl-2-benzylaziridineNSC-141645DS-000073
Database identifiers
- CAS
25022-59-7- PubChem CID
- 285045
- DTXSID
DTXSID80301183
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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