2-methyl-4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)benzoic acid

HCID 71209331
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Basic information

Standard SMILES
Cc1cc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)ccc1C(=O)O
InChIKey
QCRGSPJHEYNHFF-UHFFFAOYSA-N
Molecular formula
C17H12F3N3O3
Average molar mass
363.29 g/mol

Names & identifiers

Preferred name
2-methyl-4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)benzoic acid
IUPAC
2-methyl-4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzoic acid

Names & synonyms

2-methyl-4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)benzoic acidSCHEMBL14577076

Database identifiers

PubChem CID
71209331

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
77.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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