Methyl 1-cyclohexyl-1,2,3-benzotriazole-5-carboxylate - CAS 1400645-00-2
Catalog: |
BB056567 |
Product Name: |
Methyl 1-cyclohexyl-1,2,3-benzotriazole-5-carboxylate |
CAS: |
1400645-00-2 |
Synonyms: |
METHYL 1-CYCLOHEXYL-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE; methyl 1-cyclohexylbenzotriazole-5-carboxylate; METHYL1-CYCLOHEXYL-1,2,3-BENZOTRIAZOLE-5-CARBOXYLATE |
IUPAC Name: | methyl 1-cyclohexylbenzotriazole-5-carboxylate |
Description: | Methyl 1-cyclohexyl-1,2,3-benzotriazole-5-carboxylate |
Molecular Weight: | 259.3 |
Molecular Formula: | C14H17N3O2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)N(N=N2)C3CCCCC3 |
InChI: | InChI=1S/C14H17N3O2/c1-19-14(18)10-7-8-13-12(9-10)15-16-17(13)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3 |
InChI Key: | GLNLQTUKYPDZRB-UHFFFAOYSA-N |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.132076794 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.132076794 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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