(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone

C13H6BrCl3O — CID 43805120

IUPAC(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6BrCl3O/c14-7-1-3-9(12(17)5-7)13(18)10-6-8(15)2-4-11(10)16/h1-6H
InChIKeyXYJXXGIUSMJAFI-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.64
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone

(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone (PubChem CID 43805120) has the molecular formula C13H6BrCl3O and a molecular weight of 364.45 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
PubChem CID43805120
Molecular FormulaC13H6BrCl3O
Molecular Weight364.45 g/mol
Exact Mass361.87
IUPAC Name(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H6BrCl3O/c14-7-1-3-9(12(17)5-7)13(18)10-6-8(15)2-4-11(10)16/h1-6H
InChIKeyXYJXXGIUSMJAFI-UHFFFAOYSA-N
XLogP5.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone
CID 114032403
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(5-bromo-2-iodophenyl)-(2,4-dichlorophenyl)methanone
CID 114032798
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanone
CID 114965969
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43805092
(4-bromo-2-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319354

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone (CID 43805120) is (4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone is O=C(c1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is XYJXXGIUSMJAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl3O/c14-7-1-3-9(12(17)5-7)13(18)10-6-8(15)2-4-11(10)16/h1-6H.
What are the key properties of (4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone?
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone has a molecular weight of 364.45 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 43805120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).