1-Naphthylacetic Acid 4-Nitrophenyl Ester
Basic information
- CAS
51537-87-2- Standard SMILES
O=C(Cc1cccc2ccccc12)Oc1ccc([N+](=O)[O-])cc1- InChIKey
ABJNXPMQKGUCPD-UHFFFAOYSA-N- Molecular formula
- C18H13NO4
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.0844579
Names & identifiers
- Preferred name
- 1-Naphthylacetic Acid 4-Nitrophenyl Ester
- IUPAC
- (4-nitrophenyl) 2-naphthalen-1-ylacetate
- English name
- 4-Nitrophenyl 1-Naphthylacetate
- Molecular formula
- C18H13NO4
- Molecular weight
- 307.3
Names & synonyms
51537-87-21-Naphthylacetic Acid 4-Nitrophenyl Ester(4-nitrophenyl) 2-naphthalen-1-ylacetate4-Nitrophenyl 1-Naphthylacetate4-NITROPHENYL 2-(NAPHTHALEN-1-YL)ACETATE4-Nitrophenyl (naphthalen-1-yl)acetate1-Naphthaleneacetic Acid 4-Nitrophenyl Ester; 4-Nitrophenyl 1-NaphthylacetateDTXSID10428953DB-2504481-Naphthaleneacetic Acid 4-Nitrophenyl Ester
Database identifiers
- CAS
51537-87-2- PubChem CID
- 7900936
- DTXSID
DTXSID10428953
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Melting point
- 84 · 84-88°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesIntermediate in the preparation of 1-Naphthylacetyl Spermine (N377800).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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