Xeroform

C6H3BiBr3O — CID 57347797

IUPAC—
SMILESOc1c(Br)cc(Br)cc1Br.[Bi]
InChIInChI=1S/C6H3Br3O.Bi/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;
InChIKeyASNXTBLZRUQMFQ-UHFFFAOYSA-N
MW539.78 g/mol
LogP3.30
Rot. Bonds

About Xeroform

Xeroform (PubChem CID 57347797) has the molecular formula C6H3BiBr3O and a molecular weight of 539.78 g/mol.

Molecular Properties

Compound NameXeroform
PubChem CID57347797
Molecular FormulaC6H3BiBr3O
Molecular Weight539.78 g/mol
Exact Mass536.75
IUPAC Name—
SMILESOc1c(Br)cc(Br)cc1Br.[Bi]
InChIInChI=1S/C6H3Br3O.Bi/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;
InChIKeyASNXTBLZRUQMFQ-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Xeroform?
The IUPAC name of Xeroform (CID 57347797) is not available.
What is the SMILES notation for Xeroform?
The canonical SMILES for Xeroform is Oc1c(Br)cc(Br)cc1Br.[Bi].
What is the InChIKey of Xeroform?
The InChIKey is ASNXTBLZRUQMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br3O.Bi/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;.
What are the key properties of Xeroform?
Xeroform has a molecular weight of 539.78 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Xeroform is sourced from PubChem (CID 57347797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).