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83044-90-0 | 2-ethylhexyl 3-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-5-tert-butyl-phenyl]propanoate
CAS No: 83044-90-0 Catalog No: AG005C8O MDL No:
Product Description
Catalog Number:
AG005C8O
Chemical Name:
2-ethylhexyl 3-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-5-tert-butyl-phenyl]propanoate
CAS Number:
83044-90-0
Molecular Formula:
C27H36ClN3O3
Molecular Weight:
486.0460
IUPAC Name:
2-ethylhexyl 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]propanoate
InChI:
InChI=1S/C27H36ClN3O3/c1-6-8-9-18(7-2)17-34-25(32)13-10-19-14-21(27(3,4)5)26(33)24(15-19)31-29-22-12-11-20(28)16-23(22)30-31/h11-12,14-16,18,33H,6-10,13,17H2,1-5H3
InChI Key:
AWEVLIFGIMIQHY-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)CCc1cc(n2nc3c(n2)ccc(c3)Cl)c(c(c1)C(C)(C)C)O)CC
EC Number:
280-172-3
Properties
Complexity:
643
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:
12
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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