2-[5-(5-Methyl-1,2,3,4-tetraazol-2-yl)adamantanyl]acetyl chloride - CAS 861508-53-4
Catalog: |
BB045649 |
Product Name: |
2-[5-(5-Methyl-1,2,3,4-tetraazol-2-yl)adamantanyl]acetyl chloride |
CAS: |
861508-53-4 |
Synonyms: |
[3-(5-Methyl-2H-tetraazol-2-yl)-1-adamantyl]acetyl chloride; Tricyclo[3.3.1.13,7]decane-1-acetyl chloride, 3-(5-methyl-2H-tetrazol-2-yl) |
IUPAC Name: | 2-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetyl chloride |
Description: | 2-[5-(5-Methyl-1,2,3,4-tetraazol-2-yl)adamantanyl]acetyl chloride (CAS# 861508-53-4 ) is a useful research chemical. |
Molecular Weight: | 294.78 |
Molecular Formula: | C14H19ClN4O |
Canonical SMILES: | CC1=NN(N=N1)C23CC4CC(C2)CC(C4)(C3)CC(=O)Cl |
InChI: | InChI=1S/C14H19ClN4O/c1-9-16-18-19(17-9)14-5-10-2-11(6-14)4-13(3-10,8-14)7-12(15)20/h10-11H,2-8H2,1H3 |
InChI Key: | LUNMACCQJSXBFJ-UHFFFAOYSA-N |
Purity: | > 95 % |
Complexity: | 429 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.1247389 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.1247389 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.7 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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