[(2R)-oxiran-2-yl]methyl 2-bromobenzoate

C10H9BrO3 — CID 39733858

IUPAC[(2R)-oxiran-2-yl]methyl 2-bromobenzoate
SMILESO=C(OC[C@H]1CO1)c1ccccc1Br
InChIInChI=1S/C10H9BrO3/c11-9-4-2-1-3-8(9)10(12)14-6-7-5-13-7/h1-4,7H,5-6H2/t7-/m1/s1
InChIKeyCRAVHLBMADRFSG-SSDOTTSWSA-N
MW257.08 g/mol
LogP2.00
Rot. Bonds3

About [(2R)-oxiran-2-yl]methyl 2-bromobenzoate

[(2R)-oxiran-2-yl]methyl 2-bromobenzoate (PubChem CID 39733858) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is [(2R)-oxiran-2-yl]methyl 2-bromobenzoate.

Molecular Properties

Compound Name[(2R)-oxiran-2-yl]methyl 2-bromobenzoate
PubChem CID39733858
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name[(2R)-oxiran-2-yl]methyl 2-bromobenzoate
SMILESO=C(OC[C@H]1CO1)c1ccccc1Br
InChIInChI=1S/C10H9BrO3/c11-9-4-2-1-3-8(9)10(12)14-6-7-5-13-7/h1-4,7H,5-6H2/t7-/m1/s1
InChIKeyCRAVHLBMADRFSG-SSDOTTSWSA-N
XLogP2.00
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxycarbonyl)phenyl]benzoate
CID 22600264
oxiran-2-ylmethyl 2-methylbenzoate
CID 18622411
bis(oxiran-2-ylmethyl) naphthalene-1,8-dicarboxylate
CID 87282021
[(2R,5S)-5-(benzoyloxymethyl)-1,4-dioxan-2-yl]methyl benzoate
CID 1040756
2,4,5-tris(oxiran-2-ylmethoxycarbonyl)benzoic acid
CID 18705392
5-(oxiran-2-ylmethoxycarbonyl)benzene-1,2,4-tricarboxylic acid
CID 153325311
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520
2-O,4-O-bis[[(2S)-oxiran-2-yl]methyl] 1-O-[[(2R)-oxiran-2-yl]methyl] benzene-1,2,4-tricarboxylate
CID 98048405
ethane;propyl 2-bromobenzoate
CID 90697369
2,2-dimethylpropyl 2-bromobenzoate
CID 603297
bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] benzene-1,2-dicarboxylate
CID 165344136

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxiran-2-yl]methyl 2-bromobenzoate?
The IUPAC name of [(2R)-oxiran-2-yl]methyl 2-bromobenzoate (CID 39733858) is [(2R)-oxiran-2-yl]methyl 2-bromobenzoate.
What is the SMILES notation for [(2R)-oxiran-2-yl]methyl 2-bromobenzoate?
The canonical SMILES for [(2R)-oxiran-2-yl]methyl 2-bromobenzoate is O=C(OC[C@H]1CO1)c1ccccc1Br.
What is the InChIKey of [(2R)-oxiran-2-yl]methyl 2-bromobenzoate?
The InChIKey is CRAVHLBMADRFSG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H9BrO3/c11-9-4-2-1-3-8(9)10(12)14-6-7-5-13-7/h1-4,7H,5-6H2/t7-/m1/s1.
What are the key properties of [(2R)-oxiran-2-yl]methyl 2-bromobenzoate?
[(2R)-oxiran-2-yl]methyl 2-bromobenzoate has a molecular weight of 257.08 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxiran-2-yl]methyl 2-bromobenzoate is sourced from PubChem (CID 39733858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).