(2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium

C14H6Br2Cl2O3P+ — CID 18515171

IUPAC(2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium
SMILESO=C(c1c(Cl)cccc1Cl)[P+](=O)C(=O)c1c(Br)cccc1Br
InChIInChI=1S/C14H6Br2Cl2O3P/c15-7-3-1-4-8(16)11(7)13(19)22(21)14(20)12-9(17)5-2-6-10(12)18/h1-6H/q+1
InChIKeyKBWUVDVUCQNFCE-UHFFFAOYSA-N
MW483.89 g/mol
LogP6.33
Rot. Bonds4

About (2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium

(2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium (PubChem CID 18515171) has the molecular formula C14H6Br2Cl2O3P+ and a molecular weight of 483.89 g/mol. Its IUPAC name is (2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium.

Molecular Properties

Compound Name(2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium
PubChem CID18515171
Molecular FormulaC14H6Br2Cl2O3P+
Molecular Weight483.89 g/mol
Exact Mass480.78
IUPAC Name(2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium
SMILESO=C(c1c(Cl)cccc1Cl)[P+](=O)C(=O)c1c(Br)cccc1Br
InChIInChI=1S/C14H6Br2Cl2O3P/c15-7-3-1-4-8(16)11(7)13(19)22(21)14(20)12-9(17)5-2-6-10(12)18/h1-6H/q+1
InChIKeyKBWUVDVUCQNFCE-UHFFFAOYSA-N
XLogP6.33
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.89
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(2-bromo-6-chlorophenyl)ethanone
CID 84706659
N'-[(Z)-[amino-(2-bromo-6-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide
CID 129204019
(2-bromo-6-chlorophenyl)-pyridin-2-ylmethanone
CID 118802407
2-[(2-bromo-6-chlorobenzoyl)amino]oxyacetic acid
CID 86120715
1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 114268997
CID 11251659
CID 11251659
(2-bromo-6-chlorophenyl)-(oxolan-2-yl)methanone
CID 130505775
1-(2-bromo-6-chlorophenyl)-2-methoxy-2-phenylethanone
CID 114269006
1-(2-bromo-6-chlorophenyl)-2-(4-methoxyphenyl)ethanone
CID 114268991
2-bromo-1,3-dichlorobenzene;formaldehyde
CID 174574164
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835

Frequently Asked Questions

What is the IUPAC name of (2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium?
The IUPAC name of (2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium (CID 18515171) is (2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium.
What is the SMILES notation for (2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium?
The canonical SMILES for (2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium is O=C(c1c(Cl)cccc1Cl)[P+](=O)C(=O)c1c(Br)cccc1Br.
What is the InChIKey of (2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium?
The InChIKey is KBWUVDVUCQNFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2Cl2O3P/c15-7-3-1-4-8(16)11(7)13(19)22(21)14(20)12-9(17)5-2-6-10(12)18/h1-6H/q+1.
What are the key properties of (2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium?
(2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium has a molecular weight of 483.89 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromobenzoyl)-(2,6-dichlorobenzoyl)-oxophosphanium is sourced from PubChem (CID 18515171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).