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88572-26-3 | Thiazole, 4-phenyl-2-(tetrahydro-2H-pyran-4-yl)-, hydrochloride
CAS No: 88572-26-3 Catalog No: AG004DLY MDL No:
Product Description
Catalog Number:
AG004DLY
Chemical Name:
Thiazole, 4-phenyl-2-(tetrahydro-2H-pyran-4-yl)-, hydrochloride
CAS Number:
88572-26-3
Molecular Formula:
C14H16ClNOS
Molecular Weight:
281.8009
IUPAC Name:
2-(oxan-4-yl)-4-phenyl-1,3-thiazole;hydrochloride
InChI:
InChI=1S/C14H15NOS.ClH/c1-2-4-11(5-3-1)13-10-17-14(15-13)12-6-8-16-9-7-12;/h1-5,10,12H,6-9H2;1H
InChI Key:
AMAIQJQLCGSUJA-UHFFFAOYSA-N
SMILES:
O1CCC(CC1)c1scc(n1)c1ccccc1.Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.798g/mol
Monoisotopic Mass:
281.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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