methyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate - CAS 83044-91-1
Catalog: |
BB054071 |
Product Name: |
methyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate |
CAS: |
83044-91-1 |
Synonyms: |
Methyl 3-(3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl)propionate; 2-[3'-t-butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl]-5-chlorobenzotriazole |
IUPAC Name: | methyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate |
Molecular Weight: | 387.86 |
Molecular Formula: | C20H22ClN3O3 |
Canonical SMILES: | CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)OC)N2N=C3C=CC(=CC3=N2)Cl)O |
InChI: | InChI=1S/C20H22ClN3O3/c1-20(2,3)14-9-12(5-8-18(25)27-4)10-17(19(14)26)24-22-15-7-6-13(21)11-16(15)23-24/h6-7,9-11,26H,5,8H2,1-4H3 |
InChI Key: | VRBLLGLKTUGCSG-UHFFFAOYSA-N |
Boiling Point: | 524.7°C at 760 mmHg |
Density: | 1.28 g/cm3 |
Complexity: | 527 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 387.1349693 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 387.1349693 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 77.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.4 |
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