1-bromo-3,5-dichloro-2-methylbenzene

C7H5BrCl2 — CID 10263661

IUPAC1-bromo-3,5-dichloro-2-methylbenzene
SMILESCc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C7H5BrCl2/c1-4-6(8)2-5(9)3-7(4)10/h2-3H,1H3
InChIKeySZUISTGVALPMKA-UHFFFAOYSA-N
MW239.93 g/mol
LogP4.06
Rot. Bonds

About 1-bromo-3,5-dichloro-2-methylbenzene

1-bromo-3,5-dichloro-2-methylbenzene (PubChem CID 10263661) has the molecular formula C7H5BrCl2 and a molecular weight of 239.93 g/mol. Its IUPAC name is 1-bromo-3,5-dichloro-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-3,5-dichloro-2-methylbenzene
PubChem CID10263661
Molecular FormulaC7H5BrCl2
Molecular Weight239.93 g/mol
Exact Mass237.90
IUPAC Name1-bromo-3,5-dichloro-2-methylbenzene
SMILESCc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C7H5BrCl2/c1-4-6(8)2-5(9)3-7(4)10/h2-3H,1H3
InChIKeySZUISTGVALPMKA-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.93
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-dichloro-2-methylbenzene?
The IUPAC name of 1-bromo-3,5-dichloro-2-methylbenzene (CID 10263661) is 1-bromo-3,5-dichloro-2-methylbenzene.
What is the SMILES notation for 1-bromo-3,5-dichloro-2-methylbenzene?
The canonical SMILES for 1-bromo-3,5-dichloro-2-methylbenzene is Cc1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of 1-bromo-3,5-dichloro-2-methylbenzene?
The InChIKey is SZUISTGVALPMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2/c1-4-6(8)2-5(9)3-7(4)10/h2-3H,1H3.
What are the key properties of 1-bromo-3,5-dichloro-2-methylbenzene?
1-bromo-3,5-dichloro-2-methylbenzene has a molecular weight of 239.93 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-dichloro-2-methylbenzene is sourced from PubChem (CID 10263661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).