lithium 3-bromo-2-chlorooxybenzoate

C7H3BrClLiO3 — CID 160820966

IUPAClithium 3-bromo-2-chlorooxybenzoate
SMILESO=C([O-])c1cccc(Br)c1OCl.[Li+]
InChIInChI=1S/C7H4BrClO3.Li/c8-5-3-1-2-4(7(10)11)6(5)12-9;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeySFNVCIMNYUDCEA-UHFFFAOYSA-M
MW257.40 g/mol
LogP-1.65
Rot. Bonds2

About lithium 3-bromo-2-chlorooxybenzoate

lithium 3-bromo-2-chlorooxybenzoate (PubChem CID 160820966) has the molecular formula C7H3BrClLiO3 and a molecular weight of 257.40 g/mol. Its IUPAC name is lithium 3-bromo-2-chlorooxybenzoate.

Molecular Properties

Compound Namelithium 3-bromo-2-chlorooxybenzoate
PubChem CID160820966
Molecular FormulaC7H3BrClLiO3
Molecular Weight257.40 g/mol
Exact Mass255.91
IUPAC Namelithium 3-bromo-2-chlorooxybenzoate
SMILESO=C([O-])c1cccc(Br)c1OCl.[Li+]
InChIInChI=1S/C7H4BrClO3.Li/c8-5-3-1-2-4(7(10)11)6(5)12-9;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeySFNVCIMNYUDCEA-UHFFFAOYSA-M
XLogP-1.65
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

lithium 3-bromo-2-fluorooxybenzoate
CID 160894508
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CID 86307338
7-bromonaphthalene-1-carboxylate;thallium(1+)
CID 22604889
4-azaniumylbutylazanium;bis(2-bromobenzoate)
CID 139146269
nickel(2+);phthalate
CID 15798393
trimagnesium;phthalate
CID 142758668
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237
lead(2+) dihydride;phthalate
CID 155293254
disodium;5-sulfonatonaphthalene-1-carboxylate
CID 160700903
2-(2,6-dibromophenoxy)-1-phenylethanone
CID 60593987

Frequently Asked Questions

What is the IUPAC name of lithium 3-bromo-2-chlorooxybenzoate?
The IUPAC name of lithium 3-bromo-2-chlorooxybenzoate (CID 160820966) is lithium 3-bromo-2-chlorooxybenzoate.
What is the SMILES notation for lithium 3-bromo-2-chlorooxybenzoate?
The canonical SMILES for lithium 3-bromo-2-chlorooxybenzoate is O=C([O-])c1cccc(Br)c1OCl.[Li+].
What is the InChIKey of lithium 3-bromo-2-chlorooxybenzoate?
The InChIKey is SFNVCIMNYUDCEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4BrClO3.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-chlorooxybenzoate?
lithium 3-bromo-2-chlorooxybenzoate has a molecular weight of 257.40 g/mol, XLogP of -1.65, 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-chlorooxybenzoate is sourced from PubChem (CID 160820966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).