lithium;2-(4-bromophenyl)acetic acid;carbanide

C9H10BrLiO2 — CID 161336819

IUPAClithium;2-(4-bromophenyl)acetic acid;carbanide
SMILESO=C(O)Cc1ccc(Br)cc1.[CH3-].[Li+]
InChIInChI=1S/C8H7BrO2.CH3.Li/c9-7-3-1-6(2-4-7)5-8(10)11;;/h1-4H,5H2,(H,10,11);1H3;/q;-1;+1
InChIKeyYXXCTWFMGREFFJ-UHFFFAOYSA-N
MW237.02 g/mol
LogP-0.47
Rot. Bonds2

About lithium;2-(4-bromophenyl)acetic acid;carbanide

lithium;2-(4-bromophenyl)acetic acid;carbanide (PubChem CID 161336819) has the molecular formula C9H10BrLiO2 and a molecular weight of 237.02 g/mol. Its IUPAC name is lithium;2-(4-bromophenyl)acetic acid;carbanide.

Molecular Properties

Compound Namelithium;2-(4-bromophenyl)acetic acid;carbanide
PubChem CID161336819
Molecular FormulaC9H10BrLiO2
Molecular Weight237.02 g/mol
Exact Mass236.00
IUPAC Namelithium;2-(4-bromophenyl)acetic acid;carbanide
SMILESO=C(O)Cc1ccc(Br)cc1.[CH3-].[Li+]
InChIInChI=1S/C8H7BrO2.CH3.Li/c9-7-3-1-6(2-4-7)5-8(10)11;;/h1-4H,5H2,(H,10,11);1H3;/q;-1;+1
InChIKeyYXXCTWFMGREFFJ-UHFFFAOYSA-N
XLogP-0.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.02
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)acetic acid;2-(4-bromophenyl)acetyl chloride
CID 87964783
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
2-[4-[(4-bromophenyl)sulfonylmethyl]phenyl]acetic acid
CID 105345555
2-(4-bromo-2-deuteriophenyl)acetic acid
CID 176551490
(Z)-2,3-bis[(4-bromophenyl)methyl]but-2-enedioic acid
CID 19009870
3-(4-bromophenyl)-2-oxopropanoic acid
CID 598758
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-[4-[(4-bromophenyl)methylcarbamoylamino]phenyl]acetic acid
CID 108899454
2-(4-sulfophenyl)acetic acid
CID 5205069
(2Z)-3-(4-bromophenyl)-2-hydroxyiminopropanoic acid
CID 165486392
2-(4-bromophenyl)acetic acid;tert-butyl 2-[[2-(4-bromophenyl)acetyl]amino]acetate
CID 160789359
2-[4-[(4-bromo-2-fluorophenyl)methylamino]phenyl]acetic acid
CID 11537371

Frequently Asked Questions

What is the IUPAC name of lithium;2-(4-bromophenyl)acetic acid;carbanide?
The IUPAC name of lithium;2-(4-bromophenyl)acetic acid;carbanide (CID 161336819) is lithium;2-(4-bromophenyl)acetic acid;carbanide.
What is the SMILES notation for lithium;2-(4-bromophenyl)acetic acid;carbanide?
The canonical SMILES for lithium;2-(4-bromophenyl)acetic acid;carbanide is O=C(O)Cc1ccc(Br)cc1.[CH3-].[Li+].
What is the InChIKey of lithium;2-(4-bromophenyl)acetic acid;carbanide?
The InChIKey is YXXCTWFMGREFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2.CH3.Li/c9-7-3-1-6(2-4-7)5-8(10)11;;/h1-4H,5H2,(H,10,11);1H3;/q;-1;+1.
What are the key properties of lithium;2-(4-bromophenyl)acetic acid;carbanide?
lithium;2-(4-bromophenyl)acetic acid;carbanide has a molecular weight of 237.02 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(4-bromophenyl)acetic acid;carbanide is sourced from PubChem (CID 161336819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).