calcium;2-hydroxybenzoic acid;dichloride

C7H6CaCl2O3 — CID 174829097

IUPACcalcium;2-hydroxybenzoic acid;dichloride
SMILESO=C(O)c1ccccc1O.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/C7H6O3.Ca.2ClH/c8-6-4-2-1-3-5(6)7(9)10;;;/h1-4,8H,(H,9,10);;2*1H/q;+2;;/p-2
InChIKeyWTLXIIVSKUDWHC-UHFFFAOYSA-L
MW249.11 g/mol
LogP-5.28
Rot. Bonds1

About calcium;2-hydroxybenzoic acid;dichloride

calcium;2-hydroxybenzoic acid;dichloride (PubChem CID 174829097) has the molecular formula C7H6CaCl2O3 and a molecular weight of 249.11 g/mol. Its IUPAC name is calcium;2-hydroxybenzoic acid;dichloride.

Molecular Properties

Compound Namecalcium;2-hydroxybenzoic acid;dichloride
PubChem CID174829097
Molecular FormulaC7H6CaCl2O3
Molecular Weight249.11 g/mol
Exact Mass247.93
IUPAC Namecalcium;2-hydroxybenzoic acid;dichloride
SMILESO=C(O)c1ccccc1O.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/C7H6O3.Ca.2ClH/c8-6-4-2-1-3-5(6)7(9)10;;;/h1-4,8H,(H,9,10);;2*1H/q;+2;;/p-2
InChIKeyWTLXIIVSKUDWHC-UHFFFAOYSA-L
XLogP-5.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 5-5.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-hydroxybenzoic acid;silver
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strontium;hydride;2-hydroxybenzoic acid
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2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
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Frequently Asked Questions

What is the IUPAC name of calcium;2-hydroxybenzoic acid;dichloride?
The IUPAC name of calcium;2-hydroxybenzoic acid;dichloride (CID 174829097) is calcium;2-hydroxybenzoic acid;dichloride.
What is the SMILES notation for calcium;2-hydroxybenzoic acid;dichloride?
The canonical SMILES for calcium;2-hydroxybenzoic acid;dichloride is O=C(O)c1ccccc1O.[Ca+2].[Cl-].[Cl-].
What is the InChIKey of calcium;2-hydroxybenzoic acid;dichloride?
The InChIKey is WTLXIIVSKUDWHC-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O3.Ca.2ClH/c8-6-4-2-1-3-5(6)7(9)10;;;/h1-4,8H,(H,9,10);;2*1H/q;+2;;/p-2.
What are the key properties of calcium;2-hydroxybenzoic acid;dichloride?
calcium;2-hydroxybenzoic acid;dichloride has a molecular weight of 249.11 g/mol, XLogP of -5.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;2-hydroxybenzoic acid;dichloride is sourced from PubChem (CID 174829097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).