Tert-butyl 2-(3-nitrophenoxy)acetate
Basic information
- CAS
138563-69-6- Standard SMILES
CC(C)(C)OC(=O)COc1cccc([N+](=O)[O-])c1- InChIKey
WNJWCWPAYCKXKM-UHFFFAOYSA-N- Molecular formula
- C12H15NO5
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.09502258
Names & identifiers
- Preferred name
- Tert-butyl 2-(3-nitrophenoxy)acetate
- IUPAC
- tert-butyl 2-(3-nitrophenoxy)acetate
Names & synonyms
tert-butyl 2-(3-nitrophenoxy)acetate138563-69-6NSC212370Acetic acid, 2-(3-nitrophenoxy)-, 1,1-dimethylethyl esterSCHEMBL6478841tert-butyl 3-nitrophenoxyacetateWNJWCWPAYCKXKM-UHFFFAOYSA-NMFCD24862069tert-Butyl2-(3-nitrophenoxy)acetateAKOS008716584NSC-212370SY470086
Show more names
CS-0432997F84019F762612
Database identifiers
- CAS
138563-69-6- PubChem CID
- 309909
- EC Number
- 190-235-6
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
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Related reactions
2 records
Compound notes
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