3-Hydroxy-5-(trifluoromethyl)phenylacetic acid

HCID 69065624

Notes Reactions

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Basic information

Standard SMILES: O=C(O)Cc1cc(O)cc(C(F)(F)F)c1
InChIKey: TZHCBFDHJDEEOS-UHFFFAOYSA-N
Molecular formula: C9H7F3O3
Average molar mass: 220.14 g/mol

Names & identifiers

Preferred name: 3-Hydroxy-5-(trifluoromethyl)phenylacetic acid
IUPAC: 2-[3-hydroxy-5-(trifluoromethyl)phenyl]acetic acid

Names & synonyms

721948-42-12-(3-Hydroxy-5-(trifluoromethyl)phenyl)acetic acid3-HYDROXY-5-(TRIFLUOROMETHYL)PHENYLACETIC ACID2-[3-hydroxy-5-(trifluoromethyl)phenyl]acetic acidSCHEMBL4494395AB75645[3-hydroxy-5-(trifluoromethyl)phenyl]acetic acid

Database identifiers

PubChem CID: 69065624

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 239

Related reactions

33 records

New reaction record

HRID 124946As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138832As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 167390As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 173578As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 183882As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 680489As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 685688As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 952300As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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