5-arsoroso-1-bromo-3-chloro-2-fluorobenzene

C6H2AsBrClFO — CID 172524611

IUPAC5-arsoroso-1-bromo-3-chloro-2-fluorobenzene
SMILESO=[As]c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C6H2AsBrClFO/c8-4-1-3(7-11)2-5(9)6(4)10/h1-2H
InChIKeyOXKFFIQKYVMWCE-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.92
Rot. Bonds1

About 5-arsoroso-1-bromo-3-chloro-2-fluorobenzene

5-arsoroso-1-bromo-3-chloro-2-fluorobenzene (PubChem CID 172524611) has the molecular formula C6H2AsBrClFO and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-arsoroso-1-bromo-3-chloro-2-fluorobenzene.

Molecular Properties

Compound Name5-arsoroso-1-bromo-3-chloro-2-fluorobenzene
PubChem CID172524611
Molecular FormulaC6H2AsBrClFO
Molecular Weight299.36 g/mol
Exact Mass297.82
IUPAC Name5-arsoroso-1-bromo-3-chloro-2-fluorobenzene
SMILESO=[As]c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C6H2AsBrClFO/c8-4-1-3(7-11)2-5(9)6(4)10/h1-2H
InChIKeyOXKFFIQKYVMWCE-UHFFFAOYSA-N
XLogP1.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 131622385
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CID 172524619
2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone
CID 117420397
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)acetic acid
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N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine
CID 117389561
3-(3-bromo-5-chloro-4-fluorophenyl)butanal
CID 117448551
(3-bromo-5-chloro-2,6-difluorophenyl)boronic acid
CID 74892414
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol
CID 117424956
5-arsoroso-1,3-difluoro-2-iodobenzene
CID 172524676
1-bromo-3-chloro-2,4,5-trifluorobenzene
CID 14978107
5-bromo-3-chloro-2-fluorobenzenesulfonamide
CID 131622390

Frequently Asked Questions

What is the IUPAC name of 5-arsoroso-1-bromo-3-chloro-2-fluorobenzene?
The IUPAC name of 5-arsoroso-1-bromo-3-chloro-2-fluorobenzene (CID 172524611) is 5-arsoroso-1-bromo-3-chloro-2-fluorobenzene.
What is the SMILES notation for 5-arsoroso-1-bromo-3-chloro-2-fluorobenzene?
The canonical SMILES for 5-arsoroso-1-bromo-3-chloro-2-fluorobenzene is O=[As]c1cc(Cl)c(F)c(Br)c1.
What is the InChIKey of 5-arsoroso-1-bromo-3-chloro-2-fluorobenzene?
The InChIKey is OXKFFIQKYVMWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2AsBrClFO/c8-4-1-3(7-11)2-5(9)6(4)10/h1-2H.
What are the key properties of 5-arsoroso-1-bromo-3-chloro-2-fluorobenzene?
5-arsoroso-1-bromo-3-chloro-2-fluorobenzene has a molecular weight of 299.36 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-arsoroso-1-bromo-3-chloro-2-fluorobenzene is sourced from PubChem (CID 172524611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).