1-bromo-3-chloro-2-fluoro-5-methoxybenzene

C7H5BrClFO — CID 22114207

IUPAC1-bromo-3-chloro-2-fluoro-5-methoxybenzene
SMILESCOc1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C7H5BrClFO/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
InChIKeySNZWNOYCTFTGLS-UHFFFAOYSA-N
MW239.47 g/mol
LogP3.25
Rot. Bonds1

About 1-bromo-3-chloro-2-fluoro-5-methoxybenzene

1-bromo-3-chloro-2-fluoro-5-methoxybenzene (PubChem CID 22114207) has the molecular formula C7H5BrClFO and a molecular weight of 239.47 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-fluoro-5-methoxybenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-fluoro-5-methoxybenzene
PubChem CID22114207
Molecular FormulaC7H5BrClFO
Molecular Weight239.47 g/mol
Exact Mass237.92
IUPAC Name1-bromo-3-chloro-2-fluoro-5-methoxybenzene
SMILESCOc1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C7H5BrClFO/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
InChIKeySNZWNOYCTFTGLS-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-fluoro-5-methoxybenzene?
The IUPAC name of 1-bromo-3-chloro-2-fluoro-5-methoxybenzene (CID 22114207) is 1-bromo-3-chloro-2-fluoro-5-methoxybenzene.
What is the SMILES notation for 1-bromo-3-chloro-2-fluoro-5-methoxybenzene?
The canonical SMILES for 1-bromo-3-chloro-2-fluoro-5-methoxybenzene is COc1cc(Cl)c(F)c(Br)c1.
What is the InChIKey of 1-bromo-3-chloro-2-fluoro-5-methoxybenzene?
The InChIKey is SNZWNOYCTFTGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3.
What are the key properties of 1-bromo-3-chloro-2-fluoro-5-methoxybenzene?
1-bromo-3-chloro-2-fluoro-5-methoxybenzene has a molecular weight of 239.47 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-fluoro-5-methoxybenzene is sourced from PubChem (CID 22114207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).