CID 11070855

C8H4ClO2Se — CID 11070855

IUPAC—
SMILESO=C(Cl)c1ccc(C(=O)[Se])cc1
InChIInChI=1S/C8H4ClO2Se/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H
InChIKeyCJCCPQGNULBCSH-UHFFFAOYSA-N
MW246.53 g/mol
LogP1.37
Rot. Bonds2

About CID 11070855

CID 11070855 (PubChem CID 11070855) has the molecular formula C8H4ClO2Se and a molecular weight of 246.53 g/mol.

Molecular Properties

Compound NameCID 11070855
PubChem CID11070855
Molecular FormulaC8H4ClO2Se
Molecular Weight246.53 g/mol
Exact Mass246.91
IUPAC Name—
SMILESO=C(Cl)c1ccc(C(=O)[Se])cc1
InChIInChI=1S/C8H4ClO2Se/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H
InChIKeyCJCCPQGNULBCSH-UHFFFAOYSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.53
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylbenzoyl chloride
CID 13405
4-carbonochloridoylbenzenecarbothioic S-acid
CID 11112864
4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride
CID 102443939
benzoyl chloride;selane
CID 174449470
4-(2-hydroxyacetyl)benzoyl chloride
CID 89280551
4-(4-hydroxyphenyl)benzoyl chloride
CID 87880031
4-(pentafluoro-lambda6-sulfanyl)benzoyl chloride
CID 2779215
4-dimethylarsanylbenzoyl chloride
CID 87760478
4-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride
CID 139675989
4-[4-(1-chloroethenyl)phenyl]benzoyl chloride
CID 145140793
4-(2-bromopropan-2-yl)benzoyl chloride
CID 141133726
4-acetylbenzoyl chloride;benzene-1,3,5-tricarbonyl chloride
CID 161034366

Frequently Asked Questions

What is the IUPAC name of CID 11070855?
The IUPAC name of CID 11070855 (CID 11070855) is not available.
What is the SMILES notation for CID 11070855?
The canonical SMILES for CID 11070855 is O=C(Cl)c1ccc(C(=O)[Se])cc1.
What is the InChIKey of CID 11070855?
The InChIKey is CJCCPQGNULBCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClO2Se/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H.
What are the key properties of CID 11070855?
CID 11070855 has a molecular weight of 246.53 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11070855 is sourced from PubChem (CID 11070855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).