(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone

C13H5BrCl4O — CID 107998426

IUPAC(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H5BrCl4O/c14-8-3-6(1-2-9(8)16)13(19)12-10(17)4-7(15)5-11(12)18/h1-5H
InChIKeyGLFAELAVLZAJIZ-UHFFFAOYSA-N
MW398.90 g/mol
LogP6.29
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone

(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone (PubChem CID 107998426) has the molecular formula C13H5BrCl4O and a molecular weight of 398.90 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone
PubChem CID107998426
Molecular FormulaC13H5BrCl4O
Molecular Weight398.90 g/mol
Exact Mass395.83
IUPAC Name(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H5BrCl4O/c14-8-3-6(1-2-9(8)16)13(19)12-10(17)4-7(15)5-11(12)18/h1-5H
InChIKeyGLFAELAVLZAJIZ-UHFFFAOYSA-N
XLogP6.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.90
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 107998192
(3-bromo-4-chlorophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 107998441
(3-bromo-4-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 115565891
(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
CID 115566211
(3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107998411
(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288265
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
(3-bromo-4-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 107998381
3-bromo-4-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 130174117
1-(3-bromo-4-chlorophenyl)-3-chloropropan-1-one
CID 82124279
3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid
CID 161088478
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone (CID 107998426) is (3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone is O=C(c1ccc(Cl)c(Br)c1)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone?
The InChIKey is GLFAELAVLZAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5BrCl4O/c14-8-3-6(1-2-9(8)16)13(19)12-10(17)4-7(15)5-11(12)18/h1-5H.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone?
(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone has a molecular weight of 398.90 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone is sourced from PubChem (CID 107998426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).