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3-Benzyloxy-4-diazenyl-benzoic acid methyl ester

HCID 69693000
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(=O)c1ccc(N=N)c(OCc2ccccc2)c1
InChIKey
ZPPSZOSYHOEQII-UHFFFAOYSA-N
Molecular formula
C15H14N2O3
Average molar mass
270.28 g/mol

Names & identifiers

Preferred name
3-Benzyloxy-4-diazenyl-benzoic acid methyl ester
IUPAC
methyl 4-diazenyl-3-phenylmethoxybenzoate

Names & synonyms

SCHEMBL6177705ZPPSZOSYHOEQII-UHFFFAOYSA-N3-benzyloxy-4-diazenyl-benzoic acid methyl ester

Database identifiers

PubChem CID
69693000

Properties

Computed structural propertiesFilling in

XLogP
3.9
Topological polar surface area
71.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Formal charge
0
Complexity
329

Related reactions

2 records
New reaction record
HRID 169166 reaction equation
HRID 169166As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1814356 reaction equation
HRID 1814356As reactantuspto-grants-2005_04

Compound notes

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