1-bromo-3-chloro-2-methoxybenzene

C7H6BrClO — CID 23433617

IUPAC1-bromo-3-chloro-2-methoxybenzene
SMILESCOc1c(Cl)cccc1Br
InChIInChI=1S/C7H6BrClO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
InChIKeyNWOYYECMNBWCNK-UHFFFAOYSA-N
MW221.48 g/mol
LogP3.11
Rot. Bonds1

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

1-bromo-3-chloro-2-methoxybenzene (PubChem CID 23433617) has the molecular formula C7H6BrClO and a molecular weight of 221.48 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-3-chloro-2-methoxybenzene
PubChem CID23433617
Molecular FormulaC7H6BrClO
Molecular Weight221.48 g/mol
Exact Mass219.93
IUPAC Name1-bromo-3-chloro-2-methoxybenzene
SMILESCOc1c(Cl)cccc1Br
InChIInChI=1S/C7H6BrClO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
InChIKeyNWOYYECMNBWCNK-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-2-methoxybenzene?
The IUPAC name of 1-bromo-3-chloro-2-methoxybenzene (CID 23433617) is 1-bromo-3-chloro-2-methoxybenzene.
What is the SMILES notation for 1-bromo-3-chloro-2-methoxybenzene?
The canonical SMILES for 1-bromo-3-chloro-2-methoxybenzene is COc1c(Cl)cccc1Br.
What is the InChIKey of 1-bromo-3-chloro-2-methoxybenzene?
The InChIKey is NWOYYECMNBWCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3.
What are the key properties of 1-bromo-3-chloro-2-methoxybenzene?
1-bromo-3-chloro-2-methoxybenzene has a molecular weight of 221.48 g/mol, XLogP of 3.11, 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-methoxybenzene is sourced from PubChem (CID 23433617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).