methyl 2-(2-bromophenyl)-5-chlorobenzoate

C14H10BrClO2 — CID 138723704

IUPACmethyl 2-(2-bromophenyl)-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1-c1ccccc1Br
InChIInChI=1S/C14H10BrClO2/c1-18-14(17)12-8-9(16)6-7-10(12)11-4-2-3-5-13(11)15/h2-8H,1H3
InChIKeyXYJFQEXWJZCORN-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.56
Rot. Bonds2

About methyl 2-(2-bromophenyl)-5-chlorobenzoate

methyl 2-(2-bromophenyl)-5-chlorobenzoate (PubChem CID 138723704) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is methyl 2-(2-bromophenyl)-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-(2-bromophenyl)-5-chlorobenzoate
PubChem CID138723704
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Namemethyl 2-(2-bromophenyl)-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1-c1ccccc1Br
InChIInChI=1S/C14H10BrClO2/c1-18-14(17)12-8-9(16)6-7-10(12)11-4-2-3-5-13(11)15/h2-8H,1H3
InChIKeyXYJFQEXWJZCORN-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromophenyl)-5-chlorobenzoate?
The IUPAC name of methyl 2-(2-bromophenyl)-5-chlorobenzoate (CID 138723704) is methyl 2-(2-bromophenyl)-5-chlorobenzoate.
What is the SMILES notation for methyl 2-(2-bromophenyl)-5-chlorobenzoate?
The canonical SMILES for methyl 2-(2-bromophenyl)-5-chlorobenzoate is COC(=O)c1cc(Cl)ccc1-c1ccccc1Br.
What is the InChIKey of methyl 2-(2-bromophenyl)-5-chlorobenzoate?
The InChIKey is XYJFQEXWJZCORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c1-18-14(17)12-8-9(16)6-7-10(12)11-4-2-3-5-13(11)15/h2-8H,1H3.
What are the key properties of methyl 2-(2-bromophenyl)-5-chlorobenzoate?
methyl 2-(2-bromophenyl)-5-chlorobenzoate has a molecular weight of 325.59 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromophenyl)-5-chlorobenzoate is sourced from PubChem (CID 138723704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).