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83044-89-7 | OCTYL 3-[3-TERT-BUTYL-4-HYDROXY-5-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)PHENYL]PROPIONATE
CAS No: 83044-89-7 Catalog No: AG005C8P MDL No:
Product Description
Catalog Number:
AG005C8P
Chemical Name:
OCTYL 3-[3-TERT-BUTYL-4-HYDROXY-5-(5-CHLORO-2H-BENZOTRIAZOL-2-YL)PHENYL]PROPIONATE
CAS Number:
83044-89-7
Molecular Formula:
C27H36ClN3O3
Molecular Weight:
486.0460
IUPAC Name:
octyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate
InChI:
InChI=1S/C27H36ClN3O3/c1-5-6-7-8-9-10-15-34-25(32)14-11-19-16-21(27(2,3)4)26(33)24(17-19)31-29-22-13-12-20(28)18-23(22)30-31/h12-13,16-18,33H,5-11,14-15H2,1-4H3
InChI Key:
DMFXLIFZVRXRRR-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)CCc1cc(n2nc3c(n2)ccc(c3)Cl)c(c(c1)C(C)(C)C)O
EC Number:
280-171-8
UNII:
GFI69Y0IX5
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.245g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
486.053g/mol
Monoisotopic Mass:
485.245g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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