Home Aldehydes 1H-Benzotriazole-1-carboxaldehyde

1H-Benzotriazole-1-carboxaldehyde

CAS No.:
72773-04-7
Catalog Number:
AG005P1K
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$350
- +
10g
95%
In Stock USA
United States
$600
- +
25g
95%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG005P1K
Chemical Name:
1H-Benzotriazole-1-carboxaldehyde
CAS Number:
72773-04-7
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
MDL Number:
MFCD00239420
IUPAC Name:
benzotriazole-1-carbaldehyde
InChI:
InChI=1S/C7H5N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-5H
InChI Key:
DVEIDGKSJOJJJU-UHFFFAOYSA-N
SMILES:
O=Cn1nnc2c1cccc2
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
A new thiamin salvage pathway. Nature chemical biology 20070801
Properties