calcium;hydride;urea;hydrobromide

CH7BrCaN2O — CID 173327121

IUPACcalcium;hydride;urea;hydrobromide
SMILESBr.NC(N)=O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH4N2O.BrH.Ca.2H/c2-1(3)4;;;;/h(H4,2,3,4);1H;;;/q;;+2;2*-1
InChIKeyIAXMHCMISMBVAY-UHFFFAOYSA-N
MW183.06 g/mol
LogP-0.55
Rot. Bonds

About calcium;hydride;urea;hydrobromide

calcium;hydride;urea;hydrobromide (PubChem CID 173327121) has the molecular formula CH7BrCaN2O and a molecular weight of 183.06 g/mol. Its IUPAC name is calcium;hydride;urea;hydrobromide.

Molecular Properties

Compound Namecalcium;hydride;urea;hydrobromide
PubChem CID173327121
Molecular FormulaCH7BrCaN2O
Molecular Weight183.06 g/mol
Exact Mass181.94
IUPAC Namecalcium;hydride;urea;hydrobromide
SMILESBr.NC(N)=O.[Ca+2].[H-].[H-]
InChIInChI=1S/CH4N2O.BrH.Ca.2H/c2-1(3)4;;;;/h(H4,2,3,4);1H;;;/q;;+2;2*-1
InChIKeyIAXMHCMISMBVAY-UHFFFAOYSA-N
XLogP-0.55
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.06
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;urea;hydrobromide?
The IUPAC name of calcium;hydride;urea;hydrobromide (CID 173327121) is calcium;hydride;urea;hydrobromide.
What is the SMILES notation for calcium;hydride;urea;hydrobromide?
The canonical SMILES for calcium;hydride;urea;hydrobromide is Br.NC(N)=O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;urea;hydrobromide?
The InChIKey is IAXMHCMISMBVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.BrH.Ca.2H/c2-1(3)4;;;;/h(H4,2,3,4);1H;;;/q;;+2;2*-1.
What are the key properties of calcium;hydride;urea;hydrobromide?
calcium;hydride;urea;hydrobromide has a molecular weight of 183.06 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;urea;hydrobromide is sourced from PubChem (CID 173327121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).