2-Acetyl-7-methoxy-4-nitrobenzofuran

HCID 12809481
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Basic information

CAS
83767-16-2
Standard SMILES
COc1ccc([N+](=O)[O-])c2cc(C(C)=O)oc12
InChIKey
AVPIFKNKZZATNU-UHFFFAOYSA-N
Molecular formula
C11H9NO5
Average molar mass
235.19 g/mol
Monoisotopic mass
235.04807239

Names & identifiers

Preferred name
2-Acetyl-7-methoxy-4-nitrobenzofuran
IUPAC
1-(7-methoxy-4-nitro-1-benzofuran-2-yl)ethanone

Names & synonyms

83767-16-21-(7-Methoxy-4-nitrobenzofuran-2-yl)ethanone2-acetyl-7-methoxy-4-nitrobenzofuranSCHEMBL3167884DTXSID10510428AVPIFKNKZZATNU-UHFFFAOYSA-N1-(7-Methoxy-4-nitro-1-benzofuran-2-yl)ethan-1-one

Database identifiers

CAS
83767-16-2
PubChem CID
12809481
DTXSID
DTXSID10510428

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
85.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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