1-bromo-2-chloro-4-diethoxyphosphorylbenzene

C10H13BrClO3P — CID 166609988

IUPAC1-bromo-2-chloro-4-diethoxyphosphorylbenzene
SMILESCCOP(=O)(OCC)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H13BrClO3P/c1-3-14-16(13,15-4-2)8-5-6-9(11)10(12)7-8/h5-7H,3-4H2,1-2H3
InChIKeyOUBQXKHUXKACRY-UHFFFAOYSA-N
MW327.54 g/mol
LogP3.99
Rot. Bonds5

About 1-bromo-2-chloro-4-diethoxyphosphorylbenzene

1-bromo-2-chloro-4-diethoxyphosphorylbenzene (PubChem CID 166609988) has the molecular formula C10H13BrClO3P and a molecular weight of 327.54 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-diethoxyphosphorylbenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-diethoxyphosphorylbenzene
PubChem CID166609988
Molecular FormulaC10H13BrClO3P
Molecular Weight327.54 g/mol
Exact Mass325.95
IUPAC Name1-bromo-2-chloro-4-diethoxyphosphorylbenzene
SMILESCCOP(=O)(OCC)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H13BrClO3P/c1-3-14-16(13,15-4-2)8-5-6-9(11)10(12)7-8/h5-7H,3-4H2,1-2H3
InChIKeyOUBQXKHUXKACRY-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-diethoxyphosphorylbenzene?
The IUPAC name of 1-bromo-2-chloro-4-diethoxyphosphorylbenzene (CID 166609988) is 1-bromo-2-chloro-4-diethoxyphosphorylbenzene.
What is the SMILES notation for 1-bromo-2-chloro-4-diethoxyphosphorylbenzene?
The canonical SMILES for 1-bromo-2-chloro-4-diethoxyphosphorylbenzene is CCOP(=O)(OCC)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-bromo-2-chloro-4-diethoxyphosphorylbenzene?
The InChIKey is OUBQXKHUXKACRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClO3P/c1-3-14-16(13,15-4-2)8-5-6-9(11)10(12)7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-bromo-2-chloro-4-diethoxyphosphorylbenzene?
1-bromo-2-chloro-4-diethoxyphosphorylbenzene has a molecular weight of 327.54 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-diethoxyphosphorylbenzene is sourced from PubChem (CID 166609988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).