Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester

HCID 25816

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 13268-96-7
Standard SMILES: CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(N)=O
InChIKey: WSEKTAKGWNNHMA-UHFFFAOYSA-N
Molecular formula: C11H13N3O6
Average molar mass: 283.24 g/mol
Monoisotopic mass: 283.08043514

Names & identifiers

Preferred name: Carbamic acid, 2-tert-butyl-4,6-dinitrophenyl ester
IUPAC: (2-tert-butyl-4,6-dinitrophenyl) carbamate

Names & synonyms

13268-96-7CARBAMIC ACID, 2-tert-BUTYL-4,6-DINITROPHENYL ESTERRefChem:10808592-tert-Butyl-4,6-dinitrophenol carbamateUC 214272-tert-Butyl-4,6-dinitrophenyl carbamateDTXSID209277652-t-butyl-4,6-dinitrophenyl carbamate2-tert-Butyl-4,6-dinitrophenyl hydrogen carbonimidatePhenol, 2-(1,1-dimethylethyl)-4,6-dinitro-, carbamate (ester)

Database identifiers

CAS: 13268-96-7
PubChem CID: 25816
DTXSID: DTXSID20927765

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 144 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 408

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…