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72773-04-7 | 1H-Benzo[d][1,2,3]triazole-1-carbaldehyde
CAS No: 72773-04-7 Catalog No: AG005P1K MDL No:MFCD00239420
Product Description
Catalog Number:
AG005P1K
Chemical Name:
1H-Benzo[d][1,2,3]triazole-1-carbaldehyde
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 |
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