ethyl 5-bromo-4-chloro-2-hydroxybenzoate

C9H8BrClO3 — CID 19701624

IUPACethyl 5-bromo-4-chloro-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(Br)c(Cl)cc1O
InChIInChI=1S/C9H8BrClO3/c1-2-14-9(13)5-3-6(10)7(11)4-8(5)12/h3-4,12H,2H2,1H3
InChIKeyMEKHVWWBRPSDLC-UHFFFAOYSA-N
MW279.52 g/mol
LogP2.98
Rot. Bonds2

About ethyl 5-bromo-4-chloro-2-hydroxybenzoate

ethyl 5-bromo-4-chloro-2-hydroxybenzoate (PubChem CID 19701624) has the molecular formula C9H8BrClO3 and a molecular weight of 279.52 g/mol. Its IUPAC name is ethyl 5-bromo-4-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 5-bromo-4-chloro-2-hydroxybenzoate
PubChem CID19701624
Molecular FormulaC9H8BrClO3
Molecular Weight279.52 g/mol
Exact Mass277.93
IUPAC Nameethyl 5-bromo-4-chloro-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(Br)c(Cl)cc1O
InChIInChI=1S/C9H8BrClO3/c1-2-14-9(13)5-3-6(10)7(11)4-8(5)12/h3-4,12H,2H2,1H3
InChIKeyMEKHVWWBRPSDLC-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-chloro-4,5-dihydroxybenzoate
CID 54196354
1-O-butyl 2-O-ethyl 4-bromo-5-chlorobenzene-1,2-dicarboxylate
CID 23502365
ethyl 4-amino-5-bromo-2-chlorobenzoate
CID 171016700
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 2,5-dibromo-4-propanoylbenzoate
CID 142541176
ethyl 4,5-difluoro-2-hydroxybenzoate
CID 18452909
ethyl 2,5-dibromo-3-chlorobenzoate
CID 114374037
ethyl 4-bromo-5-(bromomethyl)-2-chlorobenzoate
CID 171004080
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
ethyl 4-ethylperoxycarbonyl-2,5-dihydroxybenzoate
CID 21031386
ethyl 3-amino-4-bromo-2-chlorobenzoate
CID 171016259
ethyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 131016117

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-4-chloro-2-hydroxybenzoate?
The IUPAC name of ethyl 5-bromo-4-chloro-2-hydroxybenzoate (CID 19701624) is ethyl 5-bromo-4-chloro-2-hydroxybenzoate.
What is the SMILES notation for ethyl 5-bromo-4-chloro-2-hydroxybenzoate?
The canonical SMILES for ethyl 5-bromo-4-chloro-2-hydroxybenzoate is CCOC(=O)c1cc(Br)c(Cl)cc1O.
What is the InChIKey of ethyl 5-bromo-4-chloro-2-hydroxybenzoate?
The InChIKey is MEKHVWWBRPSDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO3/c1-2-14-9(13)5-3-6(10)7(11)4-8(5)12/h3-4,12H,2H2,1H3.
What are the key properties of ethyl 5-bromo-4-chloro-2-hydroxybenzoate?
ethyl 5-bromo-4-chloro-2-hydroxybenzoate has a molecular weight of 279.52 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-4-chloro-2-hydroxybenzoate is sourced from PubChem (CID 19701624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).