CAS
914349-45-4 Purity
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914349-45-4 Purity
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Benzenemethanol,2-(1H-1,2,4-triazol-1-yl)-
CAS
914349-48-7
Catalog Number
ACM914349487
Category
Other Products
Molecular Weight
175.19
Molecular Formula
C9H9 N3 O
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Specification
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
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
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 Ų.
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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CAS
914349-50-1 Purity
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914349-50-1 Purity
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