NAPHTHO(1,2-b)FURAN, 5-METHOXY-2-NITRO-

HCID 53428

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Basic information

CAS: 75965-78-5
Standard SMILES: COc1cc2cc([N+](=O)[O-])oc2c2ccccc12
InChIKey: YGYSUDXFOCIHEN-UHFFFAOYSA-N
Molecular formula: C13H9NO4
Average molar mass: 243.21 g/mol
Monoisotopic mass: 243.05315777

Names & identifiers

Preferred name: NAPHTHO(1,2-b)FURAN, 5-METHOXY-2-NITRO-
IUPAC: 5-methoxy-2-nitrobenzo[g][1]benzofuran
English name: 2-Nitro-5-methoxynaphtho(1,2-b)furan
Molecular formula: C13H9NO4
Molecular weight: 0

Names & synonyms

75965-78-5NAPHTHO(1,2-b)FURAN, 5-METHOXY-2-NITRO-5-Methoxy-2-nitronaphtho(1,2-b)furan5-methoxy-2-nitronaphtho[1,2-b]furanR 72022-Nitro-5-methoxynaphtho(1,2-b)furanBRN 5750802CHEMBL7512DTXSID20226866nitro-2 methoxy-5 naphtofuranne

Database identifiers

CAS: 75965-78-5
PubChem CID: 53428
DTXSID: DTXSID20226866
ChEMBL: CHEMBL7512
Nikkaji: J548.007H

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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