6-chloro-8-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

HCID 21883604
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Basic information

Standard SMILES
O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(Cl)cc3)c2OC1C(F)(F)F
InChIKey
NENVFGXZTXDKIF-UHFFFAOYSA-N
Molecular formula
C17H9Cl2F3O3
Average molar mass
389.1 g/mol

Names & identifiers

Preferred name
6-chloro-8-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
IUPAC
6-chloro-8-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Names & synonyms

CHEMBL16690336-chloro-8-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acidSCHEMBL6094252BDBM503360126-chloro-8-(4-chlorophenyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid

Database identifiers

PubChem CID
21883604
ChEMBL
CHEMBL1669033

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
25

Related reactions

3 records
New reaction record

Compound notes

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