6-chloro-8-(5-chloro-1-pentynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid

HCID 21883699
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Basic information

Standard SMILES
O=C(O)C1=Cc2cc(Cl)cc(C#CCCCCl)c2OC1C(F)(F)F
InChIKey
UMIBPMNCQFMPRO-UHFFFAOYSA-N
Molecular formula
C16H11Cl2F3O3
Average molar mass
379.2 g/mol

Names & identifiers

Preferred name
6-chloro-8-(5-chloro-1-pentynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid
IUPAC
6-chloro-8-(5-chloropent-1-ynyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Names & synonyms

6-chloro-8-(5-chloro-1-pentynyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acidSCHEMBL6092516

Database identifiers

PubChem CID
21883699

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
24

Related reactions

3 records
New reaction record

Compound notes

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