Naphtho(2,1-b)furan, methoxy-2-nitro-

HCID 55288

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Basic information

CAS: 84720-74-1
Standard SMILES: COc1c([N+](=O)[O-])oc2ccc3ccccc3c12
InChIKey: MEFYLIYOXGITQF-UHFFFAOYSA-N
Molecular formula: C13H9NO4
Average molar mass: 243.21 g/mol
Monoisotopic mass: 243.05315777

Names & identifiers

Preferred name: Naphtho(2,1-b)furan, methoxy-2-nitro-
IUPAC: 1-methoxy-2-nitrobenzo[e][1]benzofuran

Names & synonyms

NAPHTHO(2,1-b)FURAN, METHOXY-2-NITRO-R 710084720-74-1DTXSID30233743RefChem:365439DTXCID60156234methoxy-2-nitronaphtho[2,1-b]furan1-methoxy-2-nitronaphtho[2,1-b]furan

Database identifiers

CAS: 84720-74-1
PubChem CID: 55288
DTXSID: DTXSID30233743

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 68.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 329

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