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Home > Aldehydes > 125873-34-9
125873-34-9 | 1H-Benzotriazole-7-carboxaldehyde
CAS No: 125873-34-9 Catalog No: AG000OWE MDL No:
Product Description
Catalog Number:
AG000OWE
Chemical Name:
1H-Benzotriazole-7-carboxaldehyde
CAS Number:
125873-34-9
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
IUPAC Name:
2H-benzotriazole-4-carbaldehyde
InChI:
InChI=1S/C7H5N3O/c11-4-5-2-1-3-6-7(5)9-10-8-6/h1-4H,(H,8,9,10)
InChI Key:
QLTUPLHGMRZXEO-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1[nH]nn2
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:
1
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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