calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride

C8H8CaCl2O3 — CID 173483555

IUPACcalcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
SMILESO=C(O)COc1ccc(Cl)cc1Cl.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H6Cl2O3.Ca.2H/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;;;/h1-3H,4H2,(H,11,12);;;/q;+2;2*-1
InChIKeyKKBHVYUWJXEDHM-UHFFFAOYSA-N
MW263.13 g/mol
LogP2.30
Rot. Bonds3

About calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride

calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride (PubChem CID 173483555) has the molecular formula C8H8CaCl2O3 and a molecular weight of 263.13 g/mol. Its IUPAC name is calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride.

Molecular Properties

Compound Namecalcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
PubChem CID173483555
Molecular FormulaC8H8CaCl2O3
Molecular Weight263.13 g/mol
Exact Mass261.95
IUPAC Namecalcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
SMILESO=C(O)COc1ccc(Cl)cc1Cl.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H6Cl2O3.Ca.2H/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;;;/h1-3H,4H2,(H,11,12);;;/q;+2;2*-1
InChIKeyKKBHVYUWJXEDHM-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985
4-(2,4-dichlorophenoxy)butanoic acid;2-(2,4,5-trichlorophenoxy)acetic acid
CID 70569666
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)acetic acid
CID 67853868
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721

Frequently Asked Questions

What is the IUPAC name of calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride?
The IUPAC name of calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride (CID 173483555) is calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride.
What is the SMILES notation for calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride?
The canonical SMILES for calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride is O=C(O)COc1ccc(Cl)cc1Cl.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride?
The InChIKey is KKBHVYUWJXEDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.Ca.2H/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;;;/h1-3H,4H2,(H,11,12);;;/q;+2;2*-1.
What are the key properties of calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride?
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride has a molecular weight of 263.13 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride is sourced from PubChem (CID 173483555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).