CAS 13608-87-2 | 1-(2,3,4-Trichlorophenyl)ethanone | CAS Number 13608-87-2

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13608-87-2 | 1-(2,3,4-Trichlorophenyl)ethanone

CAS No: 13608-87-2 Catalog No: AG003FE3 MDL No:MFCD00000542

Product Description

Catalog Number:

AG003FE3

Chemical Name:

1-(2,3,4-Trichlorophenyl)ethanone

CAS Number:

13608-87-2

Molecular Formula:

C8H5Cl3O

Molecular Weight:

223.4837

MDL Number:

MFCD00000542

IUPAC Name:

1-(2,3,4-trichlorophenyl)ethanone

InChI:

InChI=1S/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3

InChI Key:

BXJZZJYNVIDEKG-UHFFFAOYSA-N

SMILES:

CC(=O)c1ccc(c(c1Cl)Cl)Cl

EC Number:

237-092-9

UNII:

8HVD33N785

UN Number:

1759

Properties

Complexity:

183

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.941g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.477g/mol

Monoisotopic Mass:

221.941g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Co-amendment with halogenated compounds enhances anaerobic microbial dechlorination of 1,2,3,4-tetrachlorodibenzo-P-dioxin and 1,2,3,4-tetrachlorodibenzofuran in estuarine sediments.	Environmental toxicology and chemistry 20051101