bromo 2-(3-bromophenyl)acetate

C8H6Br2O2 — CID 174910278

IUPACbromo 2-(3-bromophenyl)acetate
SMILESO=C(Cc1cccc(Br)c1)OBr
InChIInChI=1S/C8H6Br2O2/c9-7-3-1-2-6(4-7)5-8(11)12-10/h1-4H,5H2
InChIKeySKCJLPCFICLWAY-UHFFFAOYSA-N
MW293.94 g/mol
LogP2.84
Rot. Bonds2

About bromo 2-(3-bromophenyl)acetate

bromo 2-(3-bromophenyl)acetate (PubChem CID 174910278) has the molecular formula C8H6Br2O2 and a molecular weight of 293.94 g/mol. Its IUPAC name is bromo 2-(3-bromophenyl)acetate.

Molecular Properties

Compound Namebromo 2-(3-bromophenyl)acetate
PubChem CID174910278
Molecular FormulaC8H6Br2O2
Molecular Weight293.94 g/mol
Exact Mass291.87
IUPAC Namebromo 2-(3-bromophenyl)acetate
SMILESO=C(Cc1cccc(Br)c1)OBr
InChIInChI=1S/C8H6Br2O2/c9-7-3-1-2-6(4-7)5-8(11)12-10/h1-4H,5H2
InChIKeySKCJLPCFICLWAY-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.94
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

iodo 2-(3-bromophenyl)acetate
CID 155449676
2-(3-bromophenyl)acetate
CID 3608673
2-(3-bromophenyl)acetamide
CID 11736027
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
1-(3-bromophenyl)-3-ethyl-3-methoxypentan-2-one
CID 116747441
methyl 4-[2-(3-bromophenyl)acetyl]oxybenzoate
CID 60619120
benzyl 4-(3-bromophenyl)-3-oxobutanoate
CID 11566421
1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
CID 62621721
2-(3-bromophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106687687
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
1-(3-bromophenyl)-3-propan-2-yloxypropan-2-one
CID 79566730
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanone
CID 63941449

Frequently Asked Questions

What is the IUPAC name of bromo 2-(3-bromophenyl)acetate?
The IUPAC name of bromo 2-(3-bromophenyl)acetate (CID 174910278) is bromo 2-(3-bromophenyl)acetate.
What is the SMILES notation for bromo 2-(3-bromophenyl)acetate?
The canonical SMILES for bromo 2-(3-bromophenyl)acetate is O=C(Cc1cccc(Br)c1)OBr.
What is the InChIKey of bromo 2-(3-bromophenyl)acetate?
The InChIKey is SKCJLPCFICLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O2/c9-7-3-1-2-6(4-7)5-8(11)12-10/h1-4H,5H2.
What are the key properties of bromo 2-(3-bromophenyl)acetate?
bromo 2-(3-bromophenyl)acetate has a molecular weight of 293.94 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 2-(3-bromophenyl)acetate is sourced from PubChem (CID 174910278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).