benzotriazol-2-yl benzoate

C13H9N3O2 — CID 69035511

IUPACbenzotriazol-2-yl benzoate
SMILESO=C(On1nc2ccccc2n1)c1ccccc1
InChIInChI=1S/C13H9N3O2/c17-13(10-6-2-1-3-7-10)18-16-14-11-8-4-5-9-12(11)15-16/h1-9H
InChIKeyFHPGPUNLZZJXMN-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.70
Rot. Bonds2

About benzotriazol-2-yl benzoate

benzotriazol-2-yl benzoate (PubChem CID 69035511) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is benzotriazol-2-yl benzoate.

Molecular Properties

Compound Namebenzotriazol-2-yl benzoate
PubChem CID69035511
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Namebenzotriazol-2-yl benzoate
SMILESO=C(On1nc2ccccc2n1)c1ccccc1
InChIInChI=1S/C13H9N3O2/c17-13(10-6-2-1-3-7-10)18-16-14-11-8-4-5-9-12(11)15-16/h1-9H
InChIKeyFHPGPUNLZZJXMN-UHFFFAOYSA-N
XLogP1.70
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylpyrazol-1-yl) benzoate
CID 174441820
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
[2-(benzotriazol-2-yl)-5-methylphenyl] benzoate
CID 23991142
benzoyl tetrazole-1-carboxylate
CID 175076521
benzotriazole-2-carboxylic acid;ethane
CID 90724390
(1,1-dioxo-1,4-thiazinan-4-yl) benzoate
CID 12708317
benzoyl benzenecarboperoxoate;trioxirane
CID 174834892
methyl benzoate;hydrate
CID 141218240
azanium benzenecarboperoxoate
CID 141076857
CID 157228504
CID 157228504

Frequently Asked Questions

What is the IUPAC name of benzotriazol-2-yl benzoate?
The IUPAC name of benzotriazol-2-yl benzoate (CID 69035511) is benzotriazol-2-yl benzoate.
What is the SMILES notation for benzotriazol-2-yl benzoate?
The canonical SMILES for benzotriazol-2-yl benzoate is O=C(On1nc2ccccc2n1)c1ccccc1.
What is the InChIKey of benzotriazol-2-yl benzoate?
The InChIKey is FHPGPUNLZZJXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(10-6-2-1-3-7-10)18-16-14-11-8-4-5-9-12(11)15-16/h1-9H.
What are the key properties of benzotriazol-2-yl benzoate?
benzotriazol-2-yl benzoate has a molecular weight of 239.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-2-yl benzoate is sourced from PubChem (CID 69035511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).