CAS 3213-80-7 | 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde | CAS Number 3213-80-7

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3213-80-7 | 2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde

CAS No: 3213-80-7 Catalog No: AG007HDE MDL No:MFCD01104763

Product Description

Catalog Number:

AG007HDE

Chemical Name:

2-Phenyl-2H-1,2,3-triazole-4-carbaldehyde

CAS Number:

3213-80-7

Molecular Formula:

C9H7N3O

Molecular Weight:

173.1714

MDL Number:

MFCD01104763

IUPAC Name:

2-phenyltriazole-4-carbaldehyde

InChI:

InChI=1S/C9H7N3O/c13-7-8-6-10-12(11-8)9-4-2-1-3-5-9/h1-7H

InChI Key:

VZJJIEBMUWCKJY-UHFFFAOYSA-N

SMILES:

O=Cc1cnn(n1)c1ccccc1

NSC Number:

56085

Properties

Complexity:

180

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.175g/mol

Monoisotopic Mass:

173.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Ultrasound-assisted synthesis of novel 4-(2-phenyl-1,2,3-triazol-4-yl)-3,4-dihydropyrimidin-(1H)-(thio)ones catalyzed by Sm(ClO(4))(3).	Molecules (Basel, Switzerland) 20100324
N-[(2-Phenyl-2H-1,2,3-triazol-4-yl)methylene]-2-(2-(2-phenyl-2H-1,2,3-triazol-4-yl)-3-{2-[(2-phenyl-2H-1,2,3-triazol-4-yl)methyleneamino]ethyl}imidazolidin-1-yl)ethanamine.	Acta crystallographica. Section C, Crystal structure communications 20080801