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52421-63-3 | Methanone, [2-(4-methylphenyl)-5-thiazolyl]phenyl-
CAS No: 52421-63-3 Catalog No: AG006U8C MDL No:
Product Description
Catalog Number:
AG006U8C
Chemical Name:
Methanone, [2-(4-methylphenyl)-5-thiazolyl]phenyl-
CAS Number:
52421-63-3
Molecular Formula:
C17H13NOS
Molecular Weight:
279.3562
IUPAC Name:
[2-(4-methylphenyl)-1,3-thiazol-5-yl]-phenylmethanone
InChI:
InChI=1S/C17H13NOS/c1-12-7-9-14(10-8-12)17-18-11-15(20-17)16(19)13-5-3-2-4-6-13/h2-11H,1H3
InChI Key:
XSWYUBDVDSMGJM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ncc(s1)C(=O)c1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.357g/mol
Monoisotopic Mass:
279.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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