lithium 1-chloro-2-methylbenzene-5-ide

C7H6ClLi — CID 71404570

IUPAClithium 1-chloro-2-methylbenzene-5-ide
SMILESCc1cc[c-]cc1Cl.[Li+]
InChIInChI=1S/C7H6Cl.Li/c1-6-4-2-3-5-7(6)8;/h2,4-5H,1H3;/q-1;+1
InChIKeyNBUAIGZBPKSXJR-UHFFFAOYSA-N
MW132.52 g/mol
LogP-0.55
Rot. Bonds

About lithium 1-chloro-2-methylbenzene-5-ide

lithium 1-chloro-2-methylbenzene-5-ide (PubChem CID 71404570) has the molecular formula C7H6ClLi and a molecular weight of 132.52 g/mol. Its IUPAC name is lithium 1-chloro-2-methylbenzene-5-ide.

Molecular Properties

Compound Namelithium 1-chloro-2-methylbenzene-5-ide
PubChem CID71404570
Molecular FormulaC7H6ClLi
Molecular Weight132.52 g/mol
Exact Mass132.03
IUPAC Namelithium 1-chloro-2-methylbenzene-5-ide
SMILESCc1cc[c-]cc1Cl.[Li+]
InChIInChI=1S/C7H6Cl.Li/c1-6-4-2-3-5-7(6)8;/h2,4-5H,1H3;/q-1;+1
InChIKeyNBUAIGZBPKSXJR-UHFFFAOYSA-N
XLogP-0.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.52
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Magnesium, chloro(4-methylphenyl)-
CID 11829629
o-Tolylmagnesium chloride
CID 118563
m-Tolylmagnesium chloride
CID 4384483
Magnesium bromide 4-chloro-2-methylbenzen-1-ide (1/1/1)
CID 16217189
Npc8564
CID 5150539
p-Tolyllithium
CID 9793702
Zinc, chloro(4-methylphenyl)-
CID 10375301
Zinc, chloro(3-methylphenyl)-
CID 10943309
m-Tolyllithium
CID 11073350
o-Tolyllithium
CID 11788265
Chlorozinc(1+) 2-methylbenzen-1-ide
CID 13218092
2-Methyl-3-chlorophenylmagnesium chloride
CID 13362203

Frequently Asked Questions

What is the IUPAC name of lithium 1-chloro-2-methylbenzene-5-ide?
The IUPAC name of lithium 1-chloro-2-methylbenzene-5-ide (CID 71404570) is lithium 1-chloro-2-methylbenzene-5-ide.
What is the SMILES notation for lithium 1-chloro-2-methylbenzene-5-ide?
The canonical SMILES for lithium 1-chloro-2-methylbenzene-5-ide is Cc1cc[c-]cc1Cl.[Li+].
What is the InChIKey of lithium 1-chloro-2-methylbenzene-5-ide?
The InChIKey is NBUAIGZBPKSXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl.Li/c1-6-4-2-3-5-7(6)8;/h2,4-5H,1H3;/q-1;+1.
What are the key properties of lithium 1-chloro-2-methylbenzene-5-ide?
lithium 1-chloro-2-methylbenzene-5-ide has a molecular weight of 132.52 g/mol, XLogP of -0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-chloro-2-methylbenzene-5-ide is sourced from PubChem (CID 71404570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).