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845781-32-0 | 2-(4-tert-Butylbenzoyl)thiazole
CAS No: 845781-32-0 Catalog No: AG01EXPT MDL No:
Product Description
Catalog Number:
AG01EXPT
Chemical Name:
2-(4-tert-Butylbenzoyl)thiazole
CAS Number:
845781-32-0
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
IUPAC Name:
(4-tert-butylphenyl)-(1,3-thiazol-2-yl)methanone
InChI:
InChI=1S/C14H15NOS/c1-14(2,3)11-6-4-10(5-7-11)12(16)13-15-8-9-17-13/h4-9H,1-3H3
InChI Key:
XYZUHENVSWZFRZ-UHFFFAOYSA-N
SMILES:
O=C(c1nccs1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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