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

C7H5BrClFO — CID 3863039

IUPAC1-bromo-5-chloro-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C7H5BrClFO/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3
InChIKeyPPQUOMIZRVKTJM-UHFFFAOYSA-N
MW239.47 g/mol
LogP3.25
Rot. Bonds1

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

1-bromo-5-chloro-3-fluoro-2-methoxybenzene (PubChem CID 3863039) has the molecular formula C7H5BrClFO and a molecular weight of 239.47 g/mol. Its IUPAC name is 1-bromo-5-chloro-3-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-chloro-3-fluoro-2-methoxybenzene
PubChem CID3863039
Molecular FormulaC7H5BrClFO
Molecular Weight239.47 g/mol
Exact Mass237.92
IUPAC Name1-bromo-5-chloro-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C7H5BrClFO/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3
InChIKeyPPQUOMIZRVKTJM-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

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Related Compounds

(2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane
CID 167737943
1-(bromomethyl)-5-chloro-3-fluoro-2-methoxybenzene
CID 131593007
1,3-bis[(3-bromo-5-chloro-2-methoxyphenyl)methyl]-5-fluoro-2-methoxybenzene
CID 13064236
1-bromo-5-chloro-3-[chloro-(2,4,6-trifluorophenyl)methyl]-2-methoxybenzene
CID 65100734
5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 171001774
1-bromo-3-[bromo-(3,4-difluorophenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435640
(5-chloro-3-fluoro-2-methoxyphenyl)hydrazine
CID 90034743
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
1-(3-bromo-5-chloro-2-methoxyphenyl)-2,2-difluoroethanol
CID 104632696
(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288247
3-bromo-5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43689304
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanol
CID 61099475

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-chloro-3-fluoro-2-methoxybenzene?
The IUPAC name of 1-bromo-5-chloro-3-fluoro-2-methoxybenzene (CID 3863039) is 1-bromo-5-chloro-3-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-bromo-5-chloro-3-fluoro-2-methoxybenzene?
The canonical SMILES for 1-bromo-5-chloro-3-fluoro-2-methoxybenzene is COc1c(F)cc(Cl)cc1Br.
What is the InChIKey of 1-bromo-5-chloro-3-fluoro-2-methoxybenzene?
The InChIKey is PPQUOMIZRVKTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3.
What are the key properties of 1-bromo-5-chloro-3-fluoro-2-methoxybenzene?
1-bromo-5-chloro-3-fluoro-2-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-5-chloro-3-fluoro-2-methoxybenzene is sourced from PubChem (CID 3863039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).