(2,6-dichlorophenyl)methyl selenocyanate

C8H5Cl2NSe — CID 132988045

IUPAC(2,6-dichlorophenyl)methyl selenocyanate
SMILESN#C[Se]Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H5Cl2NSe/c9-7-2-1-3-8(10)6(7)4-12-5-11/h1-3H,4H2
InChIKeyRFWKGVHRSLZLDF-UHFFFAOYSA-N
MW265.00 g/mol
LogP2.68
Rot. Bonds2

About (2,6-dichlorophenyl)methyl selenocyanate

(2,6-dichlorophenyl)methyl selenocyanate (PubChem CID 132988045) has the molecular formula C8H5Cl2NSe and a molecular weight of 265.00 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl selenocyanate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl selenocyanate
PubChem CID132988045
Molecular FormulaC8H5Cl2NSe
Molecular Weight265.00 g/mol
Exact Mass264.90
IUPAC Name(2,6-dichlorophenyl)methyl selenocyanate
SMILESN#C[Se]Cc1c(Cl)cccc1Cl
InChIInChI=1S/C8H5Cl2NSe/c9-7-2-1-3-8(10)6(7)4-12-5-11/h1-3H,4H2
InChIKeyRFWKGVHRSLZLDF-UHFFFAOYSA-N
XLogP2.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.00
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-2-[(2,6-dichlorophenyl)methylselanylmethyl]benzene
CID 139083206
2-(2-chloro-6-methylphenyl)acetonitrile
CID 54246120
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
1-bromo-2-chlorobenzene;oxalonitrile
CID 174596541
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-4-carbonitrile
CID 12671949
1-bromo-N-(2,6-dichlorophenyl)methanesulfonamide
CID 83083816
1,3-dichloro-2-(ethylsulfanylmethyl)benzene
CID 59881902
(2,6-dichlorophenyl)methyl thiohypochlorite
CID 141002030
2-(2,6-dichlorophenyl)ethylazanium
CID 6951285
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl selenocyanate?
The IUPAC name of (2,6-dichlorophenyl)methyl selenocyanate (CID 132988045) is (2,6-dichlorophenyl)methyl selenocyanate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl selenocyanate?
The canonical SMILES for (2,6-dichlorophenyl)methyl selenocyanate is N#C[Se]Cc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl selenocyanate?
The InChIKey is RFWKGVHRSLZLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NSe/c9-7-2-1-3-8(10)6(7)4-12-5-11/h1-3H,4H2.
What are the key properties of (2,6-dichlorophenyl)methyl selenocyanate?
(2,6-dichlorophenyl)methyl selenocyanate has a molecular weight of 265.00 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl selenocyanate is sourced from PubChem (CID 132988045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).