Benzenemethanol,2-(1H-1,2,4-triazol-1-yl)-

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CAS
914349-48-7
Size
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Purity
96%
Price
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Catalog Number

ACM914349487

Product Name

Benzenemethanol,2-(1H-1,2,4-triazol-1-yl)-

Structure

Structure

CAS

914349-48-7

Category

Heterocyclic Organic Compound

Synonyms

(2-[1,2,4]TRIAZOL-1-YL-PHENYL)METHANOL;[2-(1H-1,2,4-Triazol-1-yl)phenyl]methanol

IUPAC Name

[2-(1,2,4-triazol-1-yl)phenyl]methanol

Molecular Weight

175.19

Molecular Formula

C9H9 N3 O

InChI Key

WCTYAARJJYHAHF-UHFFFAOYSA-N

Boiling Point

399.3ºC at 760 mmHg

Flash Point

195.3ºC

Density

1.27g/cm³

Exact Mass

175.07500

H-Bond Acceptor

3

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Benzenemethanol,2-(1H-1,2,4-triazol-1-yl)?

The molecular formula is C9H9N3O.

What is the molecular weight of Benzenemethanol,2-(1H-1,2,4-triazol-1-yl)?

The molecular weight is 175.19 g/mol.

What is the IUPAC name of Benzenemethanol,2-(1H-1,2,4-triazol-1-yl)?

The IUPAC name is [2-(1,2,4-triazol-1-yl)phenyl]methanol.

What is the Canonical SMILES representation of Benzenemethanol,2-(1H-1,2,4-triazol-1-yl)?

The Canonical SMILES is C1=CC=C(C(=C1)CO)N2C=NC=N2.

What is the InChIKey of Benzenemethanol,2-(1H-1,2,4-triazol-1-yl)?

The InChIKey is WCTYAARJJYHAHF-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Benzenemethanol,2-(1H-1,2,4-triazol-1-yl) have?

It has 1 hydrogen bond donor count.

What is the XLogP3-AA value for Benzenemethanol,2-(1H-1,2,4-triazol-1-yl)?

The XLogP3-AA value is 0.8.

What is the topological polar surface area of Benzenemethanol,2-(1H-1,2,4-triazol-1-yl)?

The topological polar surface area is 50.9 Å².

Does Benzenemethanol,2-(1H-1,2,4-triazol-1-yl) have any defined atom or bond stereocenters?

No, it has 0 defined atom or bond stereocenters.

Is the compound canonicalized for Benzenemethanol,2-(1H-1,2,4-triazol-1-yl)?

Yes, the compound is canonicalized.

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