CAS
906352-59-8 Purity
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906352-59-8 Purity
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2-(1H-1,2,4-Triazol-1-ylmethyl)benzaldehyde
CAS
906352-62-3
Catalog Number
ACM906352623
Category
Other Products
Molecular Weight
187.19796
Molecular Formula
C10H9N3O
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Specification
Synonyms
2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZALDEHYDE
What is the molecular formula of 2-(1H-1,2,4-triazol-1-ylmethyl)benzaldehyde?
The molecular formula is C10H9N3O.
When was 2-(1H-1,2,4-triazol-1-ylmethyl)benzaldehyde created and modified in PubChem?
It was created on 2007-12-04 and modified on 2023-12-30.
What is the IUPAC name of 2-(1H-1,2,4-triazol-1-ylmethyl)benzaldehyde?
The IUPAC name is 2-(1,2,4-triazol-1-ylmethyl)benzaldehyde.
What is the InChI of 2-(1H-1,2,4-triazol-1-ylmethyl)benzaldehyde?
The InChI is InChI=1S/C10H9N3O/c14-6-10-4-2-1-3-9(10)5-13-8-11-7-12-13/h1-4,6-8H,5H2.
What is the InChIKey of 2-(1H-1,2,4-triazol-1-ylmethyl)benzaldehyde?
The InChIKey is XPXZXSFDTOZFQQ-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-(1H-1,2,4-triazol-1-ylmethyl)benzaldehyde?
The Canonical SMILES is C1=CC=C(C(=C1)CN2C=NC=N2)C=O.
What is the molecular weight of 2-(1H-1,2,4-triazol-1-ylmethyl)benzaldehyde?
The molecular weight is 187.20 g/mol.
How many hydrogen bond acceptor counts are there in 2-(1H-1,2,4-triazol-1-ylmethyl)benzaldehyde?
There are 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 2-(1H-1,2,4-triazol-1-ylmethyl)benzaldehyde?
The topological polar surface area is 47.8 Å^2.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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