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90614-47-4 | Phenol, 4-(1,1,3,3-tetramethylbutyl)-2-(2-thiazolylazo)-
CAS No: 90614-47-4 Catalog No: AG006C65 MDL No:
Product Description
Catalog Number:
AG006C65
Chemical Name:
Phenol, 4-(1,1,3,3-tetramethylbutyl)-2-(2-thiazolylazo)-
CAS Number:
90614-47-4
Molecular Formula:
C17H23N3OS
Molecular Weight:
317.4490
IUPAC Name:
2-(1,3-thiazol-2-yldiazenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
InChI:
InChI=1S/C17H23N3OS/c1-16(2,3)11-17(4,5)12-6-7-14(21)13(10-12)19-20-15-18-8-9-22-15/h6-10,21H,11H2,1-5H3
InChI Key:
JXKMIRZVBIFEQE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1N=Nc1nccs1)C(CC(C)(C)C)(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.156g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.451g/mol
Monoisotopic Mass:
317.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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