CID 174875163

BrCl2NaO — CID 174875163

IUPAC—
SMILESClBr.[Na+].[O-]Cl
InChIInChI=1S/BrCl.ClO.Na/c2*1-2;/q;-1;+1
InChIKeyKZZCVZPFCCTAPG-UHFFFAOYSA-N
MW189.80 g/mol
LogP-1.96
Rot. Bonds

About CID 174875163

CID 174875163 (PubChem CID 174875163) has the molecular formula BrCl2NaO and a molecular weight of 189.80 g/mol.

Molecular Properties

Compound NameCID 174875163
PubChem CID174875163
Molecular FormulaBrCl2NaO
Molecular Weight189.80 g/mol
Exact Mass187.84
IUPAC Name—
SMILESClBr.[Na+].[O-]Cl
InChIInChI=1S/BrCl.ClO.Na/c2*1-2;/q;-1;+1
InChIKeyKZZCVZPFCCTAPG-UHFFFAOYSA-N
XLogP-1.96
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.80
LogP ≤ 5-1.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 174875163?
The IUPAC name of CID 174875163 (CID 174875163) is not available.
What is the SMILES notation for CID 174875163?
The canonical SMILES for CID 174875163 is ClBr.[Na+].[O-]Cl.
What is the InChIKey of CID 174875163?
The InChIKey is KZZCVZPFCCTAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/BrCl.ClO.Na/c2*1-2;/q;-1;+1.
What are the key properties of CID 174875163?
CID 174875163 has a molecular weight of 189.80 g/mol, XLogP of -1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174875163 is sourced from PubChem (CID 174875163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).