calcium;5-chloro-2-hydroxybenzoic acid;hydride

C7H7CaClO3 — CID 174504492

IUPACcalcium;5-chloro-2-hydroxybenzoic acid;hydride
SMILESO=C(O)c1cc(Cl)ccc1O.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H5ClO3.Ca.2H/c8-4-1-2-6(9)5(3-4)7(10)11;;;/h1-3,9H,(H,10,11);;;/q;+2;2*-1
InChIKeyXNGCKRLJTGYQQG-UHFFFAOYSA-N
MW214.66 g/mol
LogP1.59
Rot. Bonds1

About calcium;5-chloro-2-hydroxybenzoic acid;hydride

calcium;5-chloro-2-hydroxybenzoic acid;hydride (PubChem CID 174504492) has the molecular formula C7H7CaClO3 and a molecular weight of 214.66 g/mol. Its IUPAC name is calcium;5-chloro-2-hydroxybenzoic acid;hydride.

Molecular Properties

Compound Namecalcium;5-chloro-2-hydroxybenzoic acid;hydride
PubChem CID174504492
Molecular FormulaC7H7CaClO3
Molecular Weight214.66 g/mol
Exact Mass213.97
IUPAC Namecalcium;5-chloro-2-hydroxybenzoic acid;hydride
SMILESO=C(O)c1cc(Cl)ccc1O.[Ca+2].[H-].[H-]
InChIInChI=1S/C7H5ClO3.Ca.2H/c8-4-1-2-6(9)5(3-4)7(10)11;;;/h1-3,9H,(H,10,11);;;/q;+2;2*-1
InChIKeyXNGCKRLJTGYQQG-UHFFFAOYSA-N
XLogP1.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 67784559
CID 67784559
5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
CID 88741905
2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid
CID 154572941
2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 143150419
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001
5-chloro-2-hydroxy-N-sulfanylbenzamide
CID 130240285
(5-chloro-2-hydroxyphenyl)-(3,5-dichlorophenyl)methanone
CID 58962676
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
bismuth tris(2-carboxy-4-chlorophenolate)
CID 54734267
2-acetyl-5-chlorobenzoic acid
CID 11229391

Frequently Asked Questions

What is the IUPAC name of calcium;5-chloro-2-hydroxybenzoic acid;hydride?
The IUPAC name of calcium;5-chloro-2-hydroxybenzoic acid;hydride (CID 174504492) is calcium;5-chloro-2-hydroxybenzoic acid;hydride.
What is the SMILES notation for calcium;5-chloro-2-hydroxybenzoic acid;hydride?
The canonical SMILES for calcium;5-chloro-2-hydroxybenzoic acid;hydride is O=C(O)c1cc(Cl)ccc1O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;5-chloro-2-hydroxybenzoic acid;hydride?
The InChIKey is XNGCKRLJTGYQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO3.Ca.2H/c8-4-1-2-6(9)5(3-4)7(10)11;;;/h1-3,9H,(H,10,11);;;/q;+2;2*-1.
What are the key properties of calcium;5-chloro-2-hydroxybenzoic acid;hydride?
calcium;5-chloro-2-hydroxybenzoic acid;hydride has a molecular weight of 214.66 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;5-chloro-2-hydroxybenzoic acid;hydride is sourced from PubChem (CID 174504492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).