4-(2-Nitro-3-phenylbenzofuran-5-yl)benzoic acid

HCID 12902867
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Basic information

Standard SMILES
O=C(O)c1ccc(-c2ccc3oc([N+](=O)[O-])c(-c4ccccc4)c3c2)cc1
InChIKey
JNGCVSMOOSBBSR-UHFFFAOYSA-N
Molecular formula
C21H13NO5
Average molar mass
359.3 g/mol

Names & identifiers

Preferred name
4-(2-Nitro-3-phenylbenzofuran-5-yl)benzoic acid
IUPAC
4-(2-nitro-3-phenyl-1-benzofuran-5-yl)benzoic acid

Names & synonyms

SCHEMBL11352877JNGCVSMOOSBBSR-UHFFFAOYSA-N4-(2-nitro-3-phenylbenzofuran-5-yl)benzoic acid

Database identifiers

PubChem CID
12902867

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
96.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
27

Related reactions

7 records
New reaction record

Linked notes

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