2-(4-Chlorophenyl)benzoxazole-4-carboxylic acid

HCID 59625854
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Basic information

Standard SMILES
O=C(O)c1cccc2oc(-c3ccc(Cl)cc3)nc12
InChIKey
AOLRPQQQOQHWEY-UHFFFAOYSA-N
Molecular formula
C14H8ClNO3
Average molar mass
273.67 g/mol
Monoisotopic mass
273.0192708

Names & identifiers

Preferred name
2-(4-Chlorophenyl)benzoxazole-4-carboxylic acid
IUPAC
2-(4-chlorophenyl)-1,3-benzoxazole-4-carboxylic acid

Names & synonyms

SCHEMBL120321AOLRPQQQOQHWEY-UHFFFAOYSA-NAKOS0199327522-(4-Chlorophenyl)benzoxazole-4-carboxylic acid2-(4-chlorophenyl)benzo[d]oxazole-4-carboxylic acid

Database identifiers

PubChem CID
59625854

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
63.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

Related reactions

12 records
New reaction record

Compound notes

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