benzene-1,2,3,4,5-pentacarbonyl chloride

C11HCl5O5 — CID 141287344

IUPACbenzene-1,2,3,4,5-pentacarbonyl chloride
SMILESO=C(Cl)c1cc(C(=O)Cl)c(C(=O)Cl)c(C(=O)Cl)c1C(=O)Cl
InChIInChI=1S/C11HCl5O5/c12-7(17)2-1-3(8(13)18)5(10(15)20)6(11(16)21)4(2)9(14)19/h1H
InChIKeyDHHUODHWFMGVQZ-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.58
Rot. Bonds5

About benzene-1,2,3,4,5-pentacarbonyl chloride

benzene-1,2,3,4,5-pentacarbonyl chloride (PubChem CID 141287344) has the molecular formula C11HCl5O5 and a molecular weight of 390.39 g/mol. Its IUPAC name is benzene-1,2,3,4,5-pentacarbonyl chloride.

Molecular Properties

Compound Namebenzene-1,2,3,4,5-pentacarbonyl chloride
PubChem CID141287344
Molecular FormulaC11HCl5O5
Molecular Weight390.39 g/mol
Exact Mass387.83
IUPAC Namebenzene-1,2,3,4,5-pentacarbonyl chloride
SMILESO=C(Cl)c1cc(C(=O)Cl)c(C(=O)Cl)c(C(=O)Cl)c1C(=O)Cl
InChIInChI=1S/C11HCl5O5/c12-7(17)2-1-3(8(13)18)5(10(15)20)6(11(16)21)4(2)9(14)19/h1H
InChIKeyDHHUODHWFMGVQZ-UHFFFAOYSA-N
XLogP3.58
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzene-1,2,3,4,5-pentacarbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isophthaloyl chloride
CID 7451
Phthaloyl chloride
CID 6955
Trimesoyl chloride
CID 78138
2,4,6-Trimethylbenzoyl chloride
CID 97038
2,4-Dimethylbenzoyl chloride
CID 140867
2,3-Dimethylbenzoyl chloride
CID 2800899
2,5-Bis(trifluoromethyl)benzoyl chloride
CID 2737812
1,2,4-Benzenetricarbonyl trichloride
CID 77472
1,2,4,5-Benzenetetracarbonyl tetrachloride
CID 82133
2,4-Bis(trifluoromethyl)benzoyl chloride
CID 2736126
3,4-Dimethylbenzoyl chloride
CID 2758535
2,6-Naphthalenedicarbonyl dichloride
CID 3485596

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3,4,5-pentacarbonyl chloride?
The IUPAC name of benzene-1,2,3,4,5-pentacarbonyl chloride (CID 141287344) is benzene-1,2,3,4,5-pentacarbonyl chloride.
What is the SMILES notation for benzene-1,2,3,4,5-pentacarbonyl chloride?
The canonical SMILES for benzene-1,2,3,4,5-pentacarbonyl chloride is O=C(Cl)c1cc(C(=O)Cl)c(C(=O)Cl)c(C(=O)Cl)c1C(=O)Cl.
What is the InChIKey of benzene-1,2,3,4,5-pentacarbonyl chloride?
The InChIKey is DHHUODHWFMGVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11HCl5O5/c12-7(17)2-1-3(8(13)18)5(10(15)20)6(11(16)21)4(2)9(14)19/h1H.
What are the key properties of benzene-1,2,3,4,5-pentacarbonyl chloride?
benzene-1,2,3,4,5-pentacarbonyl chloride has a molecular weight of 390.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4,5-pentacarbonyl chloride is sourced from PubChem (CID 141287344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).