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832155-12-1 | Thiazole, 5-bromo-2-(2,6-diethylphenyl)-4-methyl-
CAS No: 832155-12-1 Catalog No: AG004UJF MDL No:
Product Description
Catalog Number:
AG004UJF
Chemical Name:
Thiazole, 5-bromo-2-(2,6-diethylphenyl)-4-methyl-
CAS Number:
832155-12-1
Molecular Formula:
C14H16BrNS
Molecular Weight:
310.2525
IUPAC Name:
5-bromo-2-(2,6-diethylphenyl)-4-methyl-1,3-thiazole
InChI:
InChI=1S/C14H16BrNS/c1-4-10-7-6-8-11(5-2)12(10)14-16-9(3)13(15)17-14/h6-8H,4-5H2,1-3H3
InChI Key:
DKWOEILNDLOQOG-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1c1nc(c(s1)Br)C)CC
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.019g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.253g/mol
Monoisotopic Mass:
309.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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