1-arsoroso-3,5-dibromo-2,4-difluorobenzene

C6HAsBr2F2O — CID 172524619

IUPAC1-arsoroso-3,5-dibromo-2,4-difluorobenzene
SMILESO=[As]c1cc(Br)c(F)c(Br)c1F
InChIInChI=1S/C6HAsBr2F2O/c8-3-1-2(7-12)5(10)4(9)6(3)11/h1H
InChIKeyVCHGSYVRCOIPCH-UHFFFAOYSA-N
MW361.80 g/mol
LogP2.16
Rot. Bonds1

About 1-arsoroso-3,5-dibromo-2,4-difluorobenzene

1-arsoroso-3,5-dibromo-2,4-difluorobenzene (PubChem CID 172524619) has the molecular formula C6HAsBr2F2O and a molecular weight of 361.80 g/mol. Its IUPAC name is 1-arsoroso-3,5-dibromo-2,4-difluorobenzene.

Molecular Properties

Compound Name1-arsoroso-3,5-dibromo-2,4-difluorobenzene
PubChem CID172524619
Molecular FormulaC6HAsBr2F2O
Molecular Weight361.80 g/mol
Exact Mass359.76
IUPAC Name1-arsoroso-3,5-dibromo-2,4-difluorobenzene
SMILESO=[As]c1cc(Br)c(F)c(Br)c1F
InChIInChI=1S/C6HAsBr2F2O/c8-3-1-2(7-12)5(10)4(9)6(3)11/h1H
InChIKeyVCHGSYVRCOIPCH-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-2,4-difluorobenzenethiol
CID 121228022
5-arsoroso-1-bromo-3-chloro-2-fluorobenzene
CID 172524611
2-(3,5-dibromo-2,4-difluorophenyl)acetic acid
CID 121227978
3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde
CID 7172126
1,3-dibromo-4-(difluoromethyl)-2,5-difluorobenzene
CID 119015553
1,4-dibromo-3,5-difluoro-2-(fluoromethyl)benzene
CID 118836051
1,3-dibromo-4,5-difluoro-2-(fluoromethyl)benzene
CID 131214209
2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117111600
5-bromo-3-ethyl-2,4-difluorobenzaldehyde
CID 138676739
magnesium;3-bromo-1,2,4,5-tetrafluorobenzene;dibromide
CID 175033297
1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
CID 118824651
1,4-dibromo-3-chloro-2,5-difluorobenzene
CID 118819170

Frequently Asked Questions

What is the IUPAC name of 1-arsoroso-3,5-dibromo-2,4-difluorobenzene?
The IUPAC name of 1-arsoroso-3,5-dibromo-2,4-difluorobenzene (CID 172524619) is 1-arsoroso-3,5-dibromo-2,4-difluorobenzene.
What is the SMILES notation for 1-arsoroso-3,5-dibromo-2,4-difluorobenzene?
The canonical SMILES for 1-arsoroso-3,5-dibromo-2,4-difluorobenzene is O=[As]c1cc(Br)c(F)c(Br)c1F.
What is the InChIKey of 1-arsoroso-3,5-dibromo-2,4-difluorobenzene?
The InChIKey is VCHGSYVRCOIPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HAsBr2F2O/c8-3-1-2(7-12)5(10)4(9)6(3)11/h1H.
What are the key properties of 1-arsoroso-3,5-dibromo-2,4-difluorobenzene?
1-arsoroso-3,5-dibromo-2,4-difluorobenzene has a molecular weight of 361.80 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-arsoroso-3,5-dibromo-2,4-difluorobenzene is sourced from PubChem (CID 172524619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).