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27996-86-7 | 4-[1,2,4]Triazol-1-yl-benzaldehyde
CAS No: 27996-86-7 Catalog No: AG003JXN MDL No:MFCD02681969
Product Description
Catalog Number:
AG003JXN
Chemical Name:
4-[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 |
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