1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone

C8H4BrCl3O — CID 171004358

IUPAC1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone
SMILESO=C(CCl)c1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C8H4BrCl3O/c9-8-5(11)1-4(2-6(8)12)7(13)3-10/h1-2H,3H2
InChIKeyYONKWYYGXIGVEG-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.18
Rot. Bonds2

About 1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone

1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone (PubChem CID 171004358) has the molecular formula C8H4BrCl3O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone
PubChem CID171004358
Molecular FormulaC8H4BrCl3O
Molecular Weight302.38 g/mol
Exact Mass299.85
IUPAC Name1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone
SMILESO=C(CCl)c1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C8H4BrCl3O/c9-8-5(11)1-4(2-6(8)12)7(13)3-10/h1-2H,3H2
InChIKeyYONKWYYGXIGVEG-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-5-chloro-4-methoxyphenyl)-2-chloroethanone
CID 171002004
2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone
CID 171009449
2-chloro-1-[3,5-dichloro-4-(trifluoromethyl)phenyl]ethanone
CID 171030311
4-bromo-3,5-dichlorobenzohydrazide
CID 169499880
1-[3-bromo-4-chloro-5-(trifluoromethyl)phenyl]-2-chloroethanone
CID 146675887
2-chloro-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethanone
CID 82632368
2-chloro-1-[4-chloro-3-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 118805558
1-(4-bromo-3-hydroxy-5-methoxyphenyl)-2-chloroethanone
CID 171006836
1-(5-bromofuran-3-yl)-2-chloroethanone
CID 130653759
1-(5-bromo-2-chlorophenyl)-2-chloroethanone
CID 79018243
3,4-dibromo-5-chlorobenzoic acid
CID 81429193
2-(4-bromo-3,5-dichlorophenyl)acetamide
CID 174389089

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone?
The IUPAC name of 1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone (CID 171004358) is 1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone.
What is the SMILES notation for 1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone?
The canonical SMILES for 1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone is O=C(CCl)c1cc(Cl)c(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone?
The InChIKey is YONKWYYGXIGVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl3O/c9-8-5(11)1-4(2-6(8)12)7(13)3-10/h1-2H,3H2.
What are the key properties of 1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone?
1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone has a molecular weight of 302.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone is sourced from PubChem (CID 171004358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).