(2-bromo-4-formylphenyl) 4-chlorobenzoate

C14H8BrClO3 — CID 4766641

IUPAC(2-bromo-4-formylphenyl) 4-chlorobenzoate
SMILESO=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H8BrClO3/c15-12-7-9(8-17)1-6-13(12)19-14(18)10-2-4-11(16)5-3-10/h1-8H
InChIKeyWREJTLDPPCTXHQ-UHFFFAOYSA-N
MW339.57 g/mol
LogP4.13
Rot. Bonds3

About (2-bromo-4-formylphenyl) 4-chlorobenzoate

(2-bromo-4-formylphenyl) 4-chlorobenzoate (PubChem CID 4766641) has the molecular formula C14H8BrClO3 and a molecular weight of 339.57 g/mol. Its IUPAC name is (2-bromo-4-formylphenyl) 4-chlorobenzoate.

Molecular Properties

Compound Name(2-bromo-4-formylphenyl) 4-chlorobenzoate
PubChem CID4766641
Molecular FormulaC14H8BrClO3
Molecular Weight339.57 g/mol
Exact Mass337.93
IUPAC Name(2-bromo-4-formylphenyl) 4-chlorobenzoate
SMILESO=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H8BrClO3/c15-12-7-9(8-17)1-6-13(12)19-14(18)10-2-4-11(16)5-3-10/h1-8H
InChIKeyWREJTLDPPCTXHQ-UHFFFAOYSA-N
XLogP4.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-formylphenyl) 4-chlorobenzoate
CID 806646
(2-bromo-4-formylphenyl) 3-methoxybenzoate
CID 974653
(2,4-diformylphenyl) 4-formylbenzoate
CID 130308399
(2-ethoxy-4-formylphenyl) 3-bromo-4-ethoxybenzoate
CID 23013422
(2-bromo-4-butan-2-ylphenyl) 4-chlorobenzoate
CID 17187784
(4-formyl-2,6-dimethoxyphenyl) 4-chlorobenzoate
CID 820015
bis(2-bromo-4-fluorophenyl) benzene-1,4-dicarboxylate
CID 91742491
(2-bromo-4-formylphenyl) butanoate
CID 87274525
4-[(2-bromo-4-formylphenoxy)methyl]benzoate
CID 4745765
[2-(4-bromobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 91716480
(4-chloro-2-formylphenyl) 4-methylbenzoate
CID 4766937
(2-chloro-4-formylphenyl) naphthalene-2-carboxylate
CID 804637

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-formylphenyl) 4-chlorobenzoate?
The IUPAC name of (2-bromo-4-formylphenyl) 4-chlorobenzoate (CID 4766641) is (2-bromo-4-formylphenyl) 4-chlorobenzoate.
What is the SMILES notation for (2-bromo-4-formylphenyl) 4-chlorobenzoate?
The canonical SMILES for (2-bromo-4-formylphenyl) 4-chlorobenzoate is O=Cc1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of (2-bromo-4-formylphenyl) 4-chlorobenzoate?
The InChIKey is WREJTLDPPCTXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClO3/c15-12-7-9(8-17)1-6-13(12)19-14(18)10-2-4-11(16)5-3-10/h1-8H.
What are the key properties of (2-bromo-4-formylphenyl) 4-chlorobenzoate?
(2-bromo-4-formylphenyl) 4-chlorobenzoate has a molecular weight of 339.57 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-formylphenyl) 4-chlorobenzoate is sourced from PubChem (CID 4766641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).