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477847-71-5 | (2E)-3-(2-chloro-6-fluorophenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CAS No: 477847-71-5 Catalog No: AG00IS94 MDL No:MFCD02571086
Product Description
Catalog Number:
AG00IS94
Chemical Name:
(2E)-3-(2-chloro-6-fluorophenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CAS Number:
477847-71-5
Molecular Formula:
C19H13ClFNOS
Molecular Weight:
357.8290
MDL Number:
MFCD02571086
IUPAC Name:
3-(2-chloro-6-fluorophenyl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
InChI:
InChI=1S/C19H13ClFNOS/c1-12-18(24-19(22-12)13-6-3-2-4-7-13)17(23)11-10-14-15(20)8-5-9-16(14)21/h2-11H,1H3
InChI Key:
KQNXGKAYUHCRGG-UHFFFAOYSA-N
SMILES:
O=C(c1sc(nc1C)c1ccccc1)/C=C/c1c(F)cccc1Cl
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.039g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.827g/mol
Monoisotopic Mass:
357.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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