4-Difluoromethoxy-2-ethylbenzooxazole-7-carboxylic acid 4-nitrophenyl ester

HCID 54536097
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Basic information

Standard SMILES
CCc1nc2c(OC(F)F)ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c2o1
InChIKey
YZWOKMCGNXUQIT-UHFFFAOYSA-N
Molecular formula
C17H12F2N2O6
Average molar mass
378.28 g/mol

Names & identifiers

Preferred name
4-Difluoromethoxy-2-ethylbenzooxazole-7-carboxylic acid 4-nitrophenyl ester
IUPAC
(4-nitrophenyl) 4-(difluoromethoxy)-2-ethyl-1,3-benzoxazole-7-carboxylate

Names & synonyms

4-Difluoromethoxy-2-ethylbenzooxazole-7-carboxylic acid 4-nitrophenyl esterSCHEMBL66095474-difluoromethoxy-2-ethylbenzooxazole-7-carboxylic acid 4-nitro-phenyl ester

Database identifiers

PubChem CID
54536097

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
107 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
27

Related reactions

12 records
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Compound notes

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