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5-chloro-2-(2-hydroxy-3-hexadecyl-5-methylphenyl)-2H-benzotriazole

HCID 20195646
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCCCc1cc(C)cc(-n2nc3ccc(Cl)cc3n2)c1O
InChIKey
OTDFAMBVIQRQSO-UHFFFAOYSA-N
Molecular formula
C29H42ClN3O
Average molar mass
484.1 g/mol

Names & identifiers

Preferred name
5-chloro-2-(2-hydroxy-3-hexadecyl-5-methylphenyl)-2H-benzotriazole
IUPAC
2-(5-chlorobenzotriazol-2-yl)-6-hexadecyl-4-methylphenol

Names & synonyms

SCHEMBL9628860OTDFAMBVIQRQSO-UHFFFAOYSA-N5-chloro-2-(2-hydroxy-3-hexadecyl-5-methylphenyl)-2H-benzotriazole

Database identifiers

PubChem CID
20195646

Properties

Computed structural properties

XLogP
12.3
Topological polar surface area
50.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
16
Heavy atoms
34
Formal charge
0
Complexity
536

Related reactions

2 records
New reaction record
HRID 279962 reaction equation
HRID 279962As reactantuspto-grants-1986_05
HRID 1213057 reaction equation
HRID 1213057As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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