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Home Aldehydes 3-(1H-1,2,4-Triazol-1-yl)benzaldehyde

3-(1H-1,2,4-Triazol-1-yl)benzaldehyde

CAS No.:
868755-54-8
Catalog Number:
AG003HZ5
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$75
- +
250mg
95%
In Stock USA
United States
$150
- +
1g
95%
In Stock USA
United States
$350
- +
5g
>97%
In Stock USA
United States
$705
- +
Product Description
Catalog Number:
AG003HZ5
Chemical Name:
3-(1H-1,2,4-Triazol-1-yl)benzaldehyde
CAS Number:
868755-54-8
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
MDL Number:
MFCD08271896
IUPAC Name:
3-(1,2,4-triazol-1-yl)benzaldehyde
InChI:
InChI=1S/C9H7N3O/c13-5-8-2-1-3-9(4-8)12-7-10-6-11-12/h1-7H
InChI Key:
YGKBHMJLDGOYPI-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)n1cncn1
Properties
Complexity:
186  
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  
Properties