cyclohexyl dibromoarsanylformate

C7H11AsBr2O2 — CID 87971743

IUPACcyclohexyl dibromoarsanylformate
SMILESO=C(OC1CCCCC1)[As](Br)Br
InChIInChI=1S/C7H11AsBr2O2/c9-8(10)7(11)12-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyFSBLFZCMPWSOTM-UHFFFAOYSA-N
MW361.89 g/mol
LogP3.32
Rot. Bonds2

About cyclohexyl dibromoarsanylformate

cyclohexyl dibromoarsanylformate (PubChem CID 87971743) has the molecular formula C7H11AsBr2O2 and a molecular weight of 361.89 g/mol. Its IUPAC name is cyclohexyl dibromoarsanylformate.

Molecular Properties

Compound Namecyclohexyl dibromoarsanylformate
PubChem CID87971743
Molecular FormulaC7H11AsBr2O2
Molecular Weight361.89 g/mol
Exact Mass359.83
IUPAC Namecyclohexyl dibromoarsanylformate
SMILESO=C(OC1CCCCC1)[As](Br)Br
InChIInChI=1S/C7H11AsBr2O2/c9-8(10)7(11)12-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyFSBLFZCMPWSOTM-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyloxycarbonyl-λ2-stannane
CID 174853148
cycloheptadecyl acetate
CID 57215828
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
dicyclononyl carbonate
CID 139618210
azane;cyclohexyl acetate
CID 174554221
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
cyclohexyl acetate;dihydrochloride
CID 140971070
cycloheptyl hydrogen carbonate
CID 23179405
(6-acetyloxycyclodecyl) acetate
CID 539578
lithium;carbanide;cyclohexyl acetate
CID 158677387
azane;cyclohexyl hydrogen carbonate
CID 67723937

Frequently Asked Questions

What is the IUPAC name of cyclohexyl dibromoarsanylformate?
The IUPAC name of cyclohexyl dibromoarsanylformate (CID 87971743) is cyclohexyl dibromoarsanylformate.
What is the SMILES notation for cyclohexyl dibromoarsanylformate?
The canonical SMILES for cyclohexyl dibromoarsanylformate is O=C(OC1CCCCC1)[As](Br)Br.
What is the InChIKey of cyclohexyl dibromoarsanylformate?
The InChIKey is FSBLFZCMPWSOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11AsBr2O2/c9-8(10)7(11)12-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of cyclohexyl dibromoarsanylformate?
cyclohexyl dibromoarsanylformate has a molecular weight of 361.89 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl dibromoarsanylformate is sourced from PubChem (CID 87971743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).