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50907-46-5 | 5-(2-Chlorophenyl)-1H-tetrazole
CAS No: 50907-46-5 Catalog No: AG003M3N MDL No:MFCD00040950
Product Description
Catalog Number:
AG003M3N
Chemical Name:
5-(2-Chlorophenyl)-1H-tetrazole
CAS Number:
50907-46-5
Molecular Formula:
C7H5ClN4
Molecular Weight:
180.5944
MDL Number:
MFCD00040950
IUPAC Name:
5-(2-chlorophenyl)-2H-tetrazole
InChI:
InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChI Key:
PSUIIKIEUATWCZ-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1nnn[nH]1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.595g/mol
Monoisotopic Mass:
180.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Design and synthesis of novel lactate dehydrogenase A inhibitors by fragment-based lead generation. | Journal of medicinal chemistry 20120412 |
| Inhibition of the CRM1-mediated nucleocytoplasmic transport by N-azolylacrylates: structure-activity relationship and mechanism of action. | Bioorganic & medicinal chemistry 20081101 |
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