phenylselanylbenzene;dihydrochloride

C12H12Cl2Se — CID 87206847

IUPACphenylselanylbenzene;dihydrochloride
SMILESCl.Cl.c1ccc([Se]c2ccccc2)cc1
InChIInChI=1S/C12H10Se.2ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;2*1H
InChIKeyMPXPLJISVFQEFQ-UHFFFAOYSA-N
MW306.09 g/mol
LogP2.19
Rot. Bonds2

About phenylselanylbenzene;dihydrochloride

phenylselanylbenzene;dihydrochloride (PubChem CID 87206847) has the molecular formula C12H12Cl2Se and a molecular weight of 306.09 g/mol. Its IUPAC name is phenylselanylbenzene;dihydrochloride.

Molecular Properties

Compound Namephenylselanylbenzene;dihydrochloride
PubChem CID87206847
Molecular FormulaC12H12Cl2Se
Molecular Weight306.09 g/mol
Exact Mass305.95
IUPAC Namephenylselanylbenzene;dihydrochloride
SMILESCl.Cl.c1ccc([Se]c2ccccc2)cc1
InChIInChI=1S/C12H10Se.2ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;2*1H
InChIKeyMPXPLJISVFQEFQ-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

phenylselanylbenzene;dihydrochloride
CID 173104242
formaldehyde;phenylselanylbenzene
CID 174430151
2-phenylselanylnaphthalene
CID 10062344
1,2,3,4,5-pentafluoro-6-phenylselanylbenzene
CID 12721561
hydrogen peroxide;(phenyldiselanyl)benzene
CID 161157023
1-chloro-2-phenylselanylbenzene
CID 11054651
2,4-bis(phenylselanyl)phenol
CID 10883965
phenyl selenohypochlorite
CID 21928
phenylselanylphosphane
CID 141347501
1-(4-phenylselanylphenyl)propan-1-one
CID 18984785
1-phenylselanylnaphthalene
CID 11196823
1-phenylselanyl-3-(trifluoromethoxy)benzene
CID 71761676

Frequently Asked Questions

What is the IUPAC name of phenylselanylbenzene;dihydrochloride?
The IUPAC name of phenylselanylbenzene;dihydrochloride (CID 87206847) is phenylselanylbenzene;dihydrochloride.
What is the SMILES notation for phenylselanylbenzene;dihydrochloride?
The canonical SMILES for phenylselanylbenzene;dihydrochloride is Cl.Cl.c1ccc([Se]c2ccccc2)cc1.
What is the InChIKey of phenylselanylbenzene;dihydrochloride?
The InChIKey is MPXPLJISVFQEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Se.2ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1-10H;2*1H.
What are the key properties of phenylselanylbenzene;dihydrochloride?
phenylselanylbenzene;dihydrochloride has a molecular weight of 306.09 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylselanylbenzene;dihydrochloride is sourced from PubChem (CID 87206847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).