methyl 2-(4-bromo-3-chlorophenoxy)acetate

C9H8BrClO3 — CID 171692268

IUPACmethyl 2-(4-bromo-3-chlorophenoxy)acetate
SMILESCOC(=O)COc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H8BrClO3/c1-13-9(12)5-14-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChIKeyBFXYKIYMYWVBCZ-UHFFFAOYSA-N
MW279.52 g/mol
LogP2.65
Rot. Bonds3

About methyl 2-(4-bromo-3-chlorophenoxy)acetate

methyl 2-(4-bromo-3-chlorophenoxy)acetate (PubChem CID 171692268) has the molecular formula C9H8BrClO3 and a molecular weight of 279.52 g/mol. Its IUPAC name is methyl 2-(4-bromo-3-chlorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-3-chlorophenoxy)acetate
PubChem CID171692268
Molecular FormulaC9H8BrClO3
Molecular Weight279.52 g/mol
Exact Mass277.93
IUPAC Namemethyl 2-(4-bromo-3-chlorophenoxy)acetate
SMILESCOC(=O)COc1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H8BrClO3/c1-13-9(12)5-14-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChIKeyBFXYKIYMYWVBCZ-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-chloro-4-sulfanylphenoxy)acetate
CID 57256589
2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
2-(4-bromo-3-chlorophenoxy)acetamide
CID 130655715
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
tert-butyl 2-(3-bromo-4-chlorophenoxy)acetate
CID 142585779
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
CID 86099194
2-(4-bromo-3-chlorophenoxy)acetaldehyde
CID 130729736

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-3-chlorophenoxy)acetate?
The IUPAC name of methyl 2-(4-bromo-3-chlorophenoxy)acetate (CID 171692268) is methyl 2-(4-bromo-3-chlorophenoxy)acetate.
What is the SMILES notation for methyl 2-(4-bromo-3-chlorophenoxy)acetate?
The canonical SMILES for methyl 2-(4-bromo-3-chlorophenoxy)acetate is COC(=O)COc1ccc(Br)c(Cl)c1.
What is the InChIKey of methyl 2-(4-bromo-3-chlorophenoxy)acetate?
The InChIKey is BFXYKIYMYWVBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO3/c1-13-9(12)5-14-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(4-bromo-3-chlorophenoxy)acetate?
methyl 2-(4-bromo-3-chlorophenoxy)acetate has a molecular weight of 279.52 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-3-chlorophenoxy)acetate is sourced from PubChem (CID 171692268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).