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51449-86-6 | 5-(o-Tolyl)-1H-tetrazole
CAS No: 51449-86-6 Catalog No: AG003M41 MDL No:MFCD02091280
Product Description
Catalog Number:
AG003M41
Chemical Name:
5-(o-Tolyl)-1H-tetrazole
CAS Number:
51449-86-6
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
MDL Number:
MFCD02091280
IUPAC Name:
5-(2-methylphenyl)-2H-tetrazole
InChI:
InChI=1S/C8H8N4/c1-6-4-2-3-5-7(6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChI Key:
MTBUOESFHRORQT-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1nnn[nH]1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.18g/mol
Monoisotopic Mass:
160.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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