lithium;2-bromo-4-chlorophenol;hydride

C6H5BrClLiO — CID 175213259

IUPAClithium;2-bromo-4-chlorophenol;hydride
SMILESOc1ccc(Cl)cc1Br.[H-].[Li+]
InChIInChI=1S/C6H4BrClO.Li.H/c7-5-3-4(8)1-2-6(5)9;;/h1-3,9H;;/q;+1;-1
InChIKeyDBIQSICQFMTXDU-UHFFFAOYSA-N
MW215.40 g/mol
LogP-0.08
Rot. Bonds

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

lithium;2-bromo-4-chlorophenol;hydride (PubChem CID 175213259) has the molecular formula C6H5BrClLiO and a molecular weight of 215.40 g/mol. Its IUPAC name is lithium;2-bromo-4-chlorophenol;hydride.

Molecular Properties

Compound Namelithium;2-bromo-4-chlorophenol;hydride
PubChem CID175213259
Molecular FormulaC6H5BrClLiO
Molecular Weight215.40 g/mol
Exact Mass213.94
IUPAC Namelithium;2-bromo-4-chlorophenol;hydride
SMILESOc1ccc(Cl)cc1Br.[H-].[Li+]
InChIInChI=1S/C6H4BrClO.Li.H/c7-5-3-4(8)1-2-6(5)9;;/h1-3,9H;;/q;+1;-1
InChIKeyDBIQSICQFMTXDU-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 ≤ 500215.40
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

sodium;2-bromo-4-chlorophenol;hydride
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(2-bromo-4-chlorophenyl)methanesulfonamide
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2-bromo-4-chlorobenzenesulfonamide
CID 79018093
2,5-dibromo-4-(2,5-dichlorophenyl)phenol
CID 12748815
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
3-bromo-4-hydroxybenzenesulfonyl chloride
CID 79018057
2,6-dibromo-4-chlorophenol
CID 21394
2-(bromomethyl)-4-chlorophenol
CID 67740326
2-bromophenol;4-chlorophenol
CID 70539432

Frequently Asked Questions

What is the IUPAC name of lithium;2-bromo-4-chlorophenol;hydride?
The IUPAC name of lithium;2-bromo-4-chlorophenol;hydride (CID 175213259) is lithium;2-bromo-4-chlorophenol;hydride.
What is the SMILES notation for lithium;2-bromo-4-chlorophenol;hydride?
The canonical SMILES for lithium;2-bromo-4-chlorophenol;hydride is Oc1ccc(Cl)cc1Br.[H-].[Li+].
What is the InChIKey of lithium;2-bromo-4-chlorophenol;hydride?
The InChIKey is DBIQSICQFMTXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO.Li.H/c7-5-3-4(8)1-2-6(5)9;;/h1-3,9H;;/q;+1;-1.
What are the key properties of lithium;2-bromo-4-chlorophenol;hydride?
lithium;2-bromo-4-chlorophenol;hydride has a molecular weight of 215.40 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 lithium;2-bromo-4-chlorophenol;hydride is sourced from PubChem (CID 175213259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).