sodium;2-bromo-4-chlorophenol;hydride

C6H5BrClNaO — CID 175199466

IUPACsodium;2-bromo-4-chlorophenol;hydride
SMILESOc1ccc(Cl)cc1Br.[H-].[Na+]
InChIInChI=1S/C6H4BrClO.Na.H/c7-5-3-4(8)1-2-6(5)9;;/h1-3,9H;;/q;+1;-1
InChIKeyUBKPWXZSEDBEPK-UHFFFAOYSA-N
MW231.45 g/mol
LogP-0.08
Rot. Bonds

About sodium;2-bromo-4-chlorophenol;hydride

sodium;2-bromo-4-chlorophenol;hydride (PubChem CID 175199466) has the molecular formula C6H5BrClNaO and a molecular weight of 231.45 g/mol. Its IUPAC name is sodium;2-bromo-4-chlorophenol;hydride.

Molecular Properties

Compound Namesodium;2-bromo-4-chlorophenol;hydride
PubChem CID175199466
Molecular FormulaC6H5BrClNaO
Molecular Weight231.45 g/mol
Exact Mass229.91
IUPAC Namesodium;2-bromo-4-chlorophenol;hydride
SMILESOc1ccc(Cl)cc1Br.[H-].[Na+]
InChIInChI=1S/C6H4BrClO.Na.H/c7-5-3-4(8)1-2-6(5)9;;/h1-3,9H;;/q;+1;-1
InChIKeyUBKPWXZSEDBEPK-UHFFFAOYSA-N
XLogP-0.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 21394
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CID 71683198
2-(bromomethyl)-4-chlorophenol
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(2-bromo-4-chlorophenyl)boronic acid
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2-bromophenol;4-chlorophenol
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CID 174690931

Frequently Asked Questions

What is the IUPAC name of sodium;2-bromo-4-chlorophenol;hydride?
The IUPAC name of sodium;2-bromo-4-chlorophenol;hydride (CID 175199466) is sodium;2-bromo-4-chlorophenol;hydride.
What is the SMILES notation for sodium;2-bromo-4-chlorophenol;hydride?
The canonical SMILES for sodium;2-bromo-4-chlorophenol;hydride is Oc1ccc(Cl)cc1Br.[H-].[Na+].
What is the InChIKey of sodium;2-bromo-4-chlorophenol;hydride?
The InChIKey is UBKPWXZSEDBEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO.Na.H/c7-5-3-4(8)1-2-6(5)9;;/h1-3,9H;;/q;+1;-1.
What are the key properties of sodium;2-bromo-4-chlorophenol;hydride?
sodium;2-bromo-4-chlorophenol;hydride has a molecular weight of 231.45 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-bromo-4-chlorophenol;hydride is sourced from PubChem (CID 175199466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).