(1-Methoxy-2-methyl-1-phenylpropan-2-yl) 4-nitrobenzoate

HCID 344727

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Basic information

CAS: 7474-28-4
Standard SMILES: COC(c1ccccc1)C(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: ZQLALXMRXDBQDI-UHFFFAOYSA-N
Molecular formula: C18H19NO5
Average molar mass: 329.3 g/mol
Monoisotopic mass: 329.12632271

Names & identifiers

Preferred name: (1-Methoxy-2-methyl-1-phenylpropan-2-yl) 4-nitrobenzoate
IUPAC: (1-methoxy-2-methyl-1-phenylpropan-2-yl) 4-nitrobenzoate

Names & synonyms

7474-28-4(1-methoxy-2-methyl-1-phenylpropan-2-yl) 4-nitrobenzoateNSC401801DTXSID80322676NSC-4018011-METHOXY-2-METHYL-1-PHENYLPROPAN-2-YL 4-NITROBENZOATE

Database identifiers

CAS: 7474-28-4
PubChem CID: 344727
DTXSID: DTXSID80322676

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 431

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