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4136-95-2 | 2,4,6-Trichlorobenzoylchloride
CAS No: 4136-95-2 Catalog No: AG003B4A MDL No:MFCD00075323
Product Description
Catalog Number:
AG003B4A
Chemical Name:
2,4,6-Trichlorobenzoylchloride
CAS Number:
4136-95-2
Molecular Formula:
C7H2Cl4O
Molecular Weight:
243.9022
MDL Number:
MFCD00075323
IUPAC Name:
2,4,6-trichlorobenzoyl chloride
InChI:
InChI=1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H
InChI Key:
OZGSEIVTQLXWRO-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1)Cl)C(=O)Cl
UNII:
1083Y98L1D
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.883g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.892g/mol
Monoisotopic Mass:
241.886g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of the cytotoxicity of apoptolidinones A and D. | The Journal of organic chemistry 20080704 |
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