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methyl 6-(benzyloxy)-alpha-methyl-1H-benzotriazole-1-acetate

HCID 53891908
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(C)n1nnc2ccc(OCc3ccccc3)cc21
InChIKey
HRBGGZRBLRTORU-UHFFFAOYSA-N
Molecular formula
C17H17N3O3
Average molar mass
311.33 g/mol

Names & identifiers

Preferred name
methyl 6-(benzyloxy)-alpha-methyl-1H-benzotriazole-1-acetate
IUPAC
methyl 2-(6-phenylmethoxybenzotriazol-1-yl)propanoate

Names & synonyms

SCHEMBL8692645HRBGGZRBLRTORU-UHFFFAOYSA-Nmethyl 6-(benzyloxy)-alpha-methyl-1H-benzotriazole-1-acetate

Database identifiers

PubChem CID
53891908

Properties

Computed structural properties

XLogP
3
Topological polar surface area
66.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
401

Related reactions

6 records
New reaction record
HRID 963656 reaction equation
HRID 963656As productuspto-grants-1998_06
HRID 963657 reaction equation
HRID 963657As reactantuspto-grants-1998_06
HRID 1110000 reaction equation
HRID 1110000As productuspto-grants-1994_06
HRID 1110001 reaction equation
HRID 1110001As reactantuspto-grants-1994_06
HRID 2293727 reaction equation
HRID 2293727As productuspto-grants-1997_11
HRID 2293728 reaction equation
HRID 2293728As reactantuspto-grants-1997_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes