sodium;2,4-dichloro-5-fluorobenzoic acid;hydride

C7H4Cl2FNaO2 — CID 174763775

IUPACsodium;2,4-dichloro-5-fluorobenzoic acid;hydride
SMILESO=C(O)c1cc(F)c(Cl)cc1Cl.[H-].[Na+]
InChIInChI=1S/C7H3Cl2FO2.Na.H/c8-4-2-5(9)6(10)1-3(4)7(11)12;;/h1-2H,(H,11,12);;/q;+1;-1
InChIKeyYICJDUUALNBMRB-UHFFFAOYSA-N
MW233.00 g/mol
LogP-0.05
Rot. Bonds1

About sodium;2,4-dichloro-5-fluorobenzoic acid;hydride

sodium;2,4-dichloro-5-fluorobenzoic acid;hydride (PubChem CID 174763775) has the molecular formula C7H4Cl2FNaO2 and a molecular weight of 233.00 g/mol. Its IUPAC name is sodium;2,4-dichloro-5-fluorobenzoic acid;hydride.

Molecular Properties

Compound Namesodium;2,4-dichloro-5-fluorobenzoic acid;hydride
PubChem CID174763775
Molecular FormulaC7H4Cl2FNaO2
Molecular Weight233.00 g/mol
Exact Mass231.95
IUPAC Namesodium;2,4-dichloro-5-fluorobenzoic acid;hydride
SMILESO=C(O)c1cc(F)c(Cl)cc1Cl.[H-].[Na+]
InChIInChI=1S/C7H3Cl2FO2.Na.H/c8-4-2-5(9)6(10)1-3(4)7(11)12;;/h1-2H,(H,11,12);;/q;+1;-1
InChIKeyYICJDUUALNBMRB-UHFFFAOYSA-N
XLogP-0.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.00
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,5-difluorobenzoic acid;hydrochloride
CID 67860765
sodium 2,4-dichloro-5-fluorobenzoate
CID 154641666
3-(2,4-dichloro-5-fluorophenyl)-3-oxopropanoic acid
CID 67781401
sodium 3-(2,4-dichloro-5-fluorophenyl)-3-oxoprop-1-en-1-olate
CID 76951522
2-(bromomethyl)-4-chloro-5-fluorobenzoic acid
CID 171019929
2-(4-chloro-2,5-difluorophenyl)-2-oxoacetic acid
CID 117314948
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
acetyl 2,4-dichloro-5-fluorobenzoate
CID 134687762
2-chloro-4-fluoro-5-methylsulfanylbenzoic acid
CID 91881656
sodium;hydride;methyl 2-(2,4-dichloro-5-fluorobenzoyl)prop-2-enoate
CID 175204065
1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropane-1,3-dione
CID 60928883
2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653408

Frequently Asked Questions

What is the IUPAC name of sodium;2,4-dichloro-5-fluorobenzoic acid;hydride?
The IUPAC name of sodium;2,4-dichloro-5-fluorobenzoic acid;hydride (CID 174763775) is sodium;2,4-dichloro-5-fluorobenzoic acid;hydride.
What is the SMILES notation for sodium;2,4-dichloro-5-fluorobenzoic acid;hydride?
The canonical SMILES for sodium;2,4-dichloro-5-fluorobenzoic acid;hydride is O=C(O)c1cc(F)c(Cl)cc1Cl.[H-].[Na+].
What is the InChIKey of sodium;2,4-dichloro-5-fluorobenzoic acid;hydride?
The InChIKey is YICJDUUALNBMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FO2.Na.H/c8-4-2-5(9)6(10)1-3(4)7(11)12;;/h1-2H,(H,11,12);;/q;+1;-1.
What are the key properties of sodium;2,4-dichloro-5-fluorobenzoic acid;hydride?
sodium;2,4-dichloro-5-fluorobenzoic acid;hydride has a molecular weight of 233.00 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,4-dichloro-5-fluorobenzoic acid;hydride is sourced from PubChem (CID 174763775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).