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127740-02-7 | 4-[4-(1-METHYLETHYL)PHENYL]-2(3H)-THIAZOLONE
CAS No: 127740-02-7 Catalog No: AG00A7D3 MDL No:
Product Description
Catalog Number:
AG00A7D3
Chemical Name:
4-[4-(1-METHYLETHYL)PHENYL]-2(3H)-THIAZOLONE
CAS Number:
127740-02-7
IUPAC Name:
4-(4-propan-2-ylphenyl)-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C12H13NOS/c1-8(2)9-3-5-10(6-4-9)11-7-15-12(14)13-11/h3-8H,1-2H3,(H,13,14)
InChI Key:
IFEDJZYBRHHTDR-UHFFFAOYSA-N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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