4-dimethylarsanylbenzoyl chloride

C9H10AsClO — CID 87760478

IUPAC4-dimethylarsanylbenzoyl chloride
SMILESC[As](C)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C9H10AsClO/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3
InChIKeyRJUJKFYTOIRTPA-UHFFFAOYSA-N
MW244.55 g/mol
LogP2.03
Rot. Bonds2

About 4-dimethylarsanylbenzoyl chloride

4-dimethylarsanylbenzoyl chloride (PubChem CID 87760478) has the molecular formula C9H10AsClO and a molecular weight of 244.55 g/mol. Its IUPAC name is 4-dimethylarsanylbenzoyl chloride.

Molecular Properties

Compound Name4-dimethylarsanylbenzoyl chloride
PubChem CID87760478
Molecular FormulaC9H10AsClO
Molecular Weight244.55 g/mol
Exact Mass243.96
IUPAC Name4-dimethylarsanylbenzoyl chloride
SMILESC[As](C)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C9H10AsClO/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3
InChIKeyRJUJKFYTOIRTPA-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.55
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[3-(4-carbonochloridoylphenyl)-2,3-dimethylbutan-2-yl]benzoyl chloride
CID 139675989
4-carbonochloridoylbenzenecarbothioic S-acid
CID 11112864
CID 11070855
CID 11070855
4-(2-bromopropan-2-yl)benzoyl chloride
CID 141133726
4-acetylbenzoyl chloride;benzene-1,3,5-tricarbonyl chloride
CID 161034366
4-acetamidobenzoyl chloride
CID 7010341
4-tris(4-carbonochloridoylphenyl)silylbenzoyl chloride
CID 102443939
4-(1-fluoroethyl)benzoyl chloride
CID 83854431
(4-carbonochloridoylphenyl) acetate
CID 2756254
4-[methyl(oxido)amino]benzoyl chloride
CID 163615508
benzoyl chloride;selane
CID 174449470

Frequently Asked Questions

What is the IUPAC name of 4-dimethylarsanylbenzoyl chloride?
The IUPAC name of 4-dimethylarsanylbenzoyl chloride (CID 87760478) is 4-dimethylarsanylbenzoyl chloride.
What is the SMILES notation for 4-dimethylarsanylbenzoyl chloride?
The canonical SMILES for 4-dimethylarsanylbenzoyl chloride is C[As](C)c1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-dimethylarsanylbenzoyl chloride?
The InChIKey is RJUJKFYTOIRTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10AsClO/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3.
What are the key properties of 4-dimethylarsanylbenzoyl chloride?
4-dimethylarsanylbenzoyl chloride has a molecular weight of 244.55 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylarsanylbenzoyl chloride is sourced from PubChem (CID 87760478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).