calcium;chloro hydrogen carbonate;hydride

CH3CaClO3 — CID 174258358

IUPACcalcium;chloro hydrogen carbonate;hydride
SMILESO=C(O)OCl.[Ca+2].[H-].[H-]
InChIInChI=1S/CHClO3.Ca.2H/c2-5-1(3)4;;;/h(H,3,4);;;/q;+2;2*-1
InChIKeyWRXNDHLKBPGGOR-UHFFFAOYSA-N
MW138.56 g/mol
LogP0.68
Rot. Bonds

About calcium;chloro hydrogen carbonate;hydride

calcium;chloro hydrogen carbonate;hydride (PubChem CID 174258358) has the molecular formula CH3CaClO3 and a molecular weight of 138.56 g/mol. Its IUPAC name is calcium;chloro hydrogen carbonate;hydride.

Molecular Properties

Compound Namecalcium;chloro hydrogen carbonate;hydride
PubChem CID174258358
Molecular FormulaCH3CaClO3
Molecular Weight138.56 g/mol
Exact Mass137.94
IUPAC Namecalcium;chloro hydrogen carbonate;hydride
SMILESO=C(O)OCl.[Ca+2].[H-].[H-]
InChIInChI=1S/CHClO3.Ca.2H/c2-5-1(3)4;;;/h(H,3,4);;;/q;+2;2*-1
InChIKeyWRXNDHLKBPGGOR-UHFFFAOYSA-N
XLogP0.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.56
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

disodium;chloro hydrogen carbonate;hydride
CID 174295401
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537
dicalcium;carboxyoxy hydrogen carbonate;hydride
CID 173048149
magnesium;alumanyl hydrogen carbonate;hydride
CID 173054803
tricalcium;carbonic acid;hydride
CID 173419808
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CID 173334486
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CID 173169093
dicalcium;carbonic acid;hydride;methane
CID 173330870
calcium;disodium;carbonic acid;hydride
CID 174940412
dicalcium;dimagnesium;carbonic acid;hydride
CID 174770084
acetic acid;ruthenium
CID 175502908
calcium;carbonic acid;hydride;phosphane
CID 174337787

Frequently Asked Questions

What is the IUPAC name of calcium;chloro hydrogen carbonate;hydride?
The IUPAC name of calcium;chloro hydrogen carbonate;hydride (CID 174258358) is calcium;chloro hydrogen carbonate;hydride.
What is the SMILES notation for calcium;chloro hydrogen carbonate;hydride?
The canonical SMILES for calcium;chloro hydrogen carbonate;hydride is O=C(O)OCl.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;chloro hydrogen carbonate;hydride?
The InChIKey is WRXNDHLKBPGGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/CHClO3.Ca.2H/c2-5-1(3)4;;;/h(H,3,4);;;/q;+2;2*-1.
What are the key properties of calcium;chloro hydrogen carbonate;hydride?
calcium;chloro hydrogen carbonate;hydride has a molecular weight of 138.56 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;chloro hydrogen carbonate;hydride is sourced from PubChem (CID 174258358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).