2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride

C7HCl5O2 — CID 162720087

IUPAC2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride
SMILESO=C(Cl)c1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C7HCl5O2/c8-2-1(7(12)14)6(13)5(11)4(10)3(2)9/h13H
InChIKeyMXEVNFUGFUMFFV-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.38
Rot. Bonds1

About 2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride

2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride (PubChem CID 162720087) has the molecular formula C7HCl5O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride.

Molecular Properties

Compound Name2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride
PubChem CID162720087
Molecular FormulaC7HCl5O2
Molecular Weight294.35 g/mol
Exact Mass291.84
IUPAC Name2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride
SMILESO=C(Cl)c1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C7HCl5O2/c8-2-1(7(12)14)6(13)5(11)4(10)3(2)9/h13H
InChIKeyMXEVNFUGFUMFFV-UHFFFAOYSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

carbonic acid;bis(2,3,4,5,6-pentachlorophenol)
CID 57358650
calcium 3,4,5,6-tetrachlorophthalate
CID 22119341
2,3,4,5,6-pentachlorobenzenecarbothioic S-acid
CID 3047754
2,3,4,5,6-pentachlorophenol;trihydrochloride
CID 175745759
2,3,4,5,6-pentachlorophenol;yttrium
CID 162524677
3-bromo-2,6-dichlorobenzoyl chloride
CID 171032868
(2-aminophenyl)-(2,3,4,5-tetrachloro-6-hydroxyphenyl)methanone
CID 141384323
2,4,6-trichlorobenzene-1,3-dicarbonyl chloride
CID 101290942
arsoric acid;2,3,4,5,6-pentachlorophenol
CID 158679056
bis(3,4,5,6-tetrachlorophthalic acid);zirconium
CID 20995095
bis(3,4,5,6-tetrachlorophthalic acid);hydrate
CID 155487673
4,6,7-trichloro-1,3-dioxoisoindole-5-carbonyl chloride
CID 139810190

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride?
The IUPAC name of 2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride (CID 162720087) is 2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride.
What is the SMILES notation for 2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride?
The canonical SMILES for 2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride is O=C(Cl)c1c(O)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride?
The InChIKey is MXEVNFUGFUMFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl5O2/c8-2-1(7(12)14)6(13)5(11)4(10)3(2)9/h13H.
What are the key properties of 2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride?
2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride has a molecular weight of 294.35 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrachloro-6-hydroxybenzoyl chloride is sourced from PubChem (CID 162720087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).