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Home Aldehydes 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde

4-(1H-1,2,4-Triazol-1-yl)benzaldehyde

CAS No.:
27996-86-7
Catalog Number:
AG003JXN
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$24
- +
5g
97%
In Stock USA
United States
$53
- +
10g
97%
In Stock USA
United States
$88
- +
25g
97%
In Stock USA
United States
$160
- +
100g
97%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG003JXN
Chemical Name:
4-(1H-1,2,4-Triazol-1-yl)benzaldehyde
CAS Number:
27996-86-7
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
MDL Number:
MFCD02681969
IUPAC Name:
4-(1,2,4-triazol-1-yl)benzaldehyde
InChI:
InChI=1S/C9H7N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-7H
InChI Key:
TVEJNWMWDIXPAX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)n1ncnc1
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties