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123971-41-5 | 4-(2,3,4-Trichloro-phenyl)-thiazol-2-ylamine
CAS No: 123971-41-5 Catalog No: AG01FAL5 MDL No:MFCD02664030
Product Description
Catalog Number:
AG01FAL5
Chemical Name:
4-(2,3,4-Trichloro-phenyl)-thiazol-2-ylamine
CAS Number:
123971-41-5
Molecular Formula:
C9H5Cl3N2S
Molecular Weight:
279.5734
MDL Number:
MFCD02664030
IUPAC Name:
4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C9H5Cl3N2S/c10-5-2-1-4(7(11)8(5)12)6-3-15-9(13)14-6/h1-3H,(H2,13,14)
InChI Key:
MXKOHKRMIYFKNZ-UHFFFAOYSA-N
SMILES:
Nc1scc(n1)c1ccc(c(c1Cl)Cl)Cl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.924g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.563g/mol
Monoisotopic Mass:
277.924g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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