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1-[2-(3-Methylphenyl)tetrazol-5-yl]ethyl acetate

HCID 67242583
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)OC(C)c1nnn(-c2cccc(C)c2)n1
InChIKey
HFAKLRWDIHVCSP-UHFFFAOYSA-N
Molecular formula
C12H14N4O2
Average molar mass
246.27 g/mol

Names & identifiers

Preferred name
1-[2-(3-Methylphenyl)tetrazol-5-yl]ethyl acetate
IUPAC
1-[2-(3-methylphenyl)tetrazol-5-yl]ethyl acetate

Names & synonyms

SCHEMBL1999129

Database identifiers

PubChem CID
67242583

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
69.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
300

Related reactions

2 records
New reaction record
HRID 1545948 reaction equation
HRID 1545948As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1554537 reaction equation
HRID 1554537As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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