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339279-40-2 | (3E)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-(methoxyimino)propan-1-one
CAS No: 339279-40-2 Catalog No: AG00ITXM MDL No:MFCD00974305
Product Description
Catalog Number:
AG00ITXM
Chemical Name:
(3E)-1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-(methoxyimino)propan-1-one
CAS Number:
339279-40-2
Molecular Formula:
C13H11ClN2O2S
Molecular Weight:
294.7566
MDL Number:
MFCD00974305
IUPAC Name:
1-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-3-methoxyiminopropan-1-one
InChI:
InChI=1S/C13H11ClN2O2S/c1-18-16-7-6-11(17)12-8-15-13(19-12)9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3
InChI Key:
NVVARISGDYLRPD-UHFFFAOYSA-N
SMILES:
CO/N=C/CC(=O)c1cnc(s1)c1ccc(cc1)Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.023g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.753g/mol
Monoisotopic Mass:
294.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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