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

C7H5BrCl2 — CID 44891130

IUPAC1-bromo-2,5-dichloro-3-methylbenzene
SMILESCc1cc(Cl)cc(Br)c1Cl
InChIInChI=1S/C7H5BrCl2/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,1H3
InChIKeyNMMXKMKQXFTETN-UHFFFAOYSA-N
MW239.93 g/mol
LogP4.06
Rot. Bonds

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

1-bromo-2,5-dichloro-3-methylbenzene (PubChem CID 44891130) has the molecular formula C7H5BrCl2 and a molecular weight of 239.93 g/mol. Its IUPAC name is 1-bromo-2,5-dichloro-3-methylbenzene.

Molecular Properties

Compound Name1-bromo-2,5-dichloro-3-methylbenzene
PubChem CID44891130
Molecular FormulaC7H5BrCl2
Molecular Weight239.93 g/mol
Exact Mass237.90
IUPAC Name1-bromo-2,5-dichloro-3-methylbenzene
SMILESCc1cc(Cl)cc(Br)c1Cl
InChIInChI=1S/C7H5BrCl2/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,1H3
InChIKeyNMMXKMKQXFTETN-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,5-dichloro-3-methylbenzene?
The IUPAC name of 1-bromo-2,5-dichloro-3-methylbenzene (CID 44891130) is 1-bromo-2,5-dichloro-3-methylbenzene.
What is the SMILES notation for 1-bromo-2,5-dichloro-3-methylbenzene?
The canonical SMILES for 1-bromo-2,5-dichloro-3-methylbenzene is Cc1cc(Cl)cc(Br)c1Cl.
What is the InChIKey of 1-bromo-2,5-dichloro-3-methylbenzene?
The InChIKey is NMMXKMKQXFTETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,1H3.
What are the key properties of 1-bromo-2,5-dichloro-3-methylbenzene?
1-bromo-2,5-dichloro-3-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-2,5-dichloro-3-methylbenzene is sourced from PubChem (CID 44891130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).