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88324-05-4 | Ethanone, 1-[2-[(4-chlorophenyl)amino]-4-methyl-5-thiazolyl]-, oxime
CAS No: 88324-05-4 Catalog No: AG0047E3 MDL No:
Product Description
Catalog Number:
AG0047E3
Chemical Name:
Ethanone, 1-[2-[(4-chlorophenyl)amino]-4-methyl-5-thiazolyl]-, oxime
CAS Number:
88324-05-4
Molecular Formula:
C12H12ClN3OS
Molecular Weight:
281.7612
IUPAC Name:
N-[1-[2-(4-chloroanilino)-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine
InChI:
InChI=1S/C12H12ClN3OS/c1-7-11(8(2)16-17)18-12(14-7)15-10-5-3-9(13)4-6-10/h3-6,17H,1-2H3,(H,14,15)
InChI Key:
QPVBJHDQFSMSNI-UHFFFAOYSA-N
SMILES:
ON=C(c1sc(nc1C)Nc1ccc(cc1)Cl)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.758g/mol
Monoisotopic Mass:
281.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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