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84125-35-9 | 2-(2-Isopropyltetrahydro-2H-pyran-4-yl)-4-phenylthiazole
CAS No: 84125-35-9 Catalog No: AG004PLQ MDL No:
Product Description
Catalog Number:
AG004PLQ
Chemical Name:
2-(2-Isopropyltetrahydro-2H-pyran-4-yl)-4-phenylthiazole
CAS Number:
84125-35-9
Molecular Formula:
C17H21NOS
Molecular Weight:
287.4197
IUPAC Name:
4-phenyl-2-(2-propan-2-yloxan-4-yl)-1,3-thiazole
InChI:
InChI=1S/C17H21NOS/c1-12(2)16-10-14(8-9-19-16)17-18-15(11-20-17)13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3
InChI Key:
YHRWMLAOIDLCPQ-UHFFFAOYSA-N
SMILES:
CC(C1OCCC(C1)c1scc(n1)c1ccccc1)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.134g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.421g/mol
Monoisotopic Mass:
287.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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