lithium 3-bromo-2-fluorooxybenzoate

C7H3BrFLiO3 — CID 160894508

IUPAClithium 3-bromo-2-fluorooxybenzoate
SMILESO=C([O-])c1cccc(Br)c1OF.[Li+]
InChIInChI=1S/C7H4BrFO3.Li/c8-5-3-1-2-4(7(10)11)6(5)12-9;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeySORRDBVHTXYKAI-UHFFFAOYSA-M
MW240.94 g/mol
LogP-1.92
Rot. Bonds2

About lithium 3-bromo-2-fluorooxybenzoate

lithium 3-bromo-2-fluorooxybenzoate (PubChem CID 160894508) has the molecular formula C7H3BrFLiO3 and a molecular weight of 240.94 g/mol. Its IUPAC name is lithium 3-bromo-2-fluorooxybenzoate.

Molecular Properties

Compound Namelithium 3-bromo-2-fluorooxybenzoate
PubChem CID160894508
Molecular FormulaC7H3BrFLiO3
Molecular Weight240.94 g/mol
Exact Mass239.94
IUPAC Namelithium 3-bromo-2-fluorooxybenzoate
SMILESO=C([O-])c1cccc(Br)c1OF.[Li+]
InChIInChI=1S/C7H4BrFO3.Li/c8-5-3-1-2-4(7(10)11)6(5)12-9;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeySORRDBVHTXYKAI-UHFFFAOYSA-M
XLogP-1.92
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.94
LogP ≤ 5-1.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

lithium 3-bromo-2-chlorooxybenzoate
CID 160820966
tris(8-bromonaphthalene-1-carboxylate);indium(3+)
CID 22604448
3-bromo-2-ethylbenzoate
CID 86307338
7-bromonaphthalene-1-carboxylate;thallium(1+)
CID 22604889
1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171027893
lithium 2-fluorobenzoate
CID 19205780
4-azaniumylbutylazanium;bis(2-bromobenzoate)
CID 139146269
nickel(2+);phthalate
CID 15798393
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237
trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254

Frequently Asked Questions

What is the IUPAC name of lithium 3-bromo-2-fluorooxybenzoate?
The IUPAC name of lithium 3-bromo-2-fluorooxybenzoate (CID 160894508) is lithium 3-bromo-2-fluorooxybenzoate.
What is the SMILES notation for lithium 3-bromo-2-fluorooxybenzoate?
The canonical SMILES for lithium 3-bromo-2-fluorooxybenzoate is O=C([O-])c1cccc(Br)c1OF.[Li+].
What is the InChIKey of lithium 3-bromo-2-fluorooxybenzoate?
The InChIKey is SORRDBVHTXYKAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4BrFO3.Li/c8-5-3-1-2-4(7(10)11)6(5)12-9;/h1-3H,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 3-bromo-2-fluorooxybenzoate?
lithium 3-bromo-2-fluorooxybenzoate has a molecular weight of 240.94 g/mol, XLogP of -1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-bromo-2-fluorooxybenzoate is sourced from PubChem (CID 160894508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).