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89178-70-1 | Titanium, tetrachloro[1-(2,4,6-trimethylphenyl)ethanone]-
CAS No: 89178-70-1 Catalog No: AG003WL2 MDL No:
Product Description
Catalog Number:
AG003WL2
Chemical Name:
Titanium, tetrachloro[1-(2,4,6-trimethylphenyl)ethanone]-
CAS Number:
89178-70-1
Molecular Formula:
C11H10Cl4OTi
Molecular Weight:
347.8755
IUPAC Name:
titanium;2,2,2-trichloro-1-(3-chloro-2,4,6-trimethylphenyl)ethanone
InChI:
InChI=1S/C11H10Cl4O.Ti/c1-5-4-6(2)9(12)7(3)8(5)10(16)11(13,14)15;/h4H,1-3H3;
InChI Key:
YGUPJWLAFQUCQZ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1C(=O)C(Cl)(Cl)Cl)C)Cl.[Ti]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.894g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.867g/mol
Monoisotopic Mass:
345.897g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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