2,3,4,5-tetrachlorobenzoyl bromide

C7HBrCl4O — CID 163798152

IUPAC2,3,4,5-tetrachlorobenzoyl bromide
SMILESO=C(Br)c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C7HBrCl4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
InChIKeyNCPWLNRJGJSNRJ-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.84
Rot. Bonds1

About 2,3,4,5-tetrachlorobenzoyl bromide

2,3,4,5-tetrachlorobenzoyl bromide (PubChem CID 163798152) has the molecular formula C7HBrCl4O and a molecular weight of 322.80 g/mol. Its IUPAC name is 2,3,4,5-tetrachlorobenzoyl bromide.

Molecular Properties

Compound Name2,3,4,5-tetrachlorobenzoyl bromide
PubChem CID163798152
Molecular FormulaC7HBrCl4O
Molecular Weight322.80 g/mol
Exact Mass319.80
IUPAC Name2,3,4,5-tetrachlorobenzoyl bromide
SMILESO=C(Br)c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C7HBrCl4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
InChIKeyNCPWLNRJGJSNRJ-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate
CID 11762843
2,3,4,5-tetrachlorobenzenecarbothioamide
CID 54290257
formic acid;1,2,3,4,5-pentachlorobenzene
CID 159674578
1,2,3,4,5-pentachlorobenzene;sulfane
CID 20531825
2,3,5-trichloro-4-hydroxybenzoic acid
CID 23600077
5-bromo-2,3-dichlorobenzoyl chloride
CID 171032872
2,4,5-trichloro-3-fluorobenzoic acid
CID 23173056
2,3,4,5,6-pentachlorophenol;2,3,4,6-tetrachlorophenol
CID 158166722
sodium;hydride;2,3,4-trichlorobenzoic acid
CID 174433618
2-amino-4-bromo-3,5-dichlorobenzoic acid
CID 118019194
4,5-dichloro-2-fluoro-3-methylbenzoic acid
CID 155293772
(4-phenylpiperidin-4-yl) 2,3,4,5-tetrachlorobenzoate
CID 167316206

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachlorobenzoyl bromide?
The IUPAC name of 2,3,4,5-tetrachlorobenzoyl bromide (CID 163798152) is 2,3,4,5-tetrachlorobenzoyl bromide.
What is the SMILES notation for 2,3,4,5-tetrachlorobenzoyl bromide?
The canonical SMILES for 2,3,4,5-tetrachlorobenzoyl bromide is O=C(Br)c1cc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5-tetrachlorobenzoyl bromide?
The InChIKey is NCPWLNRJGJSNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrCl4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H.
What are the key properties of 2,3,4,5-tetrachlorobenzoyl bromide?
2,3,4,5-tetrachlorobenzoyl bromide has a molecular weight of 322.80 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachlorobenzoyl bromide is sourced from PubChem (CID 163798152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).