1,4-dibromo-2-chloro-3-methylbenzene

C7H5Br2Cl — CID 44891208

IUPAC1,4-dibromo-2-chloro-3-methylbenzene
SMILESCc1c(Br)ccc(Br)c1Cl
InChIInChI=1S/C7H5Br2Cl/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3
InChIKeyFTQQPQNDEZNBJI-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.17
Rot. Bonds

About 1,4-dibromo-2-chloro-3-methylbenzene

1,4-dibromo-2-chloro-3-methylbenzene (PubChem CID 44891208) has the molecular formula C7H5Br2Cl and a molecular weight of 284.38 g/mol. Its IUPAC name is 1,4-dibromo-2-chloro-3-methylbenzene.

Molecular Properties

Compound Name1,4-dibromo-2-chloro-3-methylbenzene
PubChem CID44891208
Molecular FormulaC7H5Br2Cl
Molecular Weight284.38 g/mol
Exact Mass281.84
IUPAC Name1,4-dibromo-2-chloro-3-methylbenzene
SMILESCc1c(Br)ccc(Br)c1Cl
InChIInChI=1S/C7H5Br2Cl/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3
InChIKeyFTQQPQNDEZNBJI-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.17
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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Related Compounds

1-bromo-3-chloro-4-iodo-2-methylbenzene
CID 90963698
1-bromo-2-chloro-4-fluoro-3-methylbenzene
CID 2736227
4-bromo-3-chloro-2-methylphenol;ethane
CID 162438700
4-bromo-3-chloro-2-methylbenzenesulfonyl chloride
CID 50998046
(4-bromo-2-chloro-3-methylphenyl)methanediol
CID 170134211
1-bromo-3-chloro-2-methyl-4-prop-1-ynylbenzene
CID 150205278
1-bromo-2-chloro-4-ethoxy-3-methylbenzene
CID 146035250
2-(4-bromo-2-chloro-3-methylphenyl)-1,3-dioxane
CID 137498901
4-bromo-3-chloro-2-N-methylbenzene-1,2-diamine
CID 121232090
(3-bromo-6-chloro-2-methylphenyl)methanol
CID 131627541
1-(4-bromo-2,3-dichlorophenyl)-2,5-dimethylpyrrole
CID 107792721
1-(4-bromo-2-chloro-3-methylanilino)-3-chloropropan-2-ol
CID 168638658

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-chloro-3-methylbenzene?
The IUPAC name of 1,4-dibromo-2-chloro-3-methylbenzene (CID 44891208) is 1,4-dibromo-2-chloro-3-methylbenzene.
What is the SMILES notation for 1,4-dibromo-2-chloro-3-methylbenzene?
The canonical SMILES for 1,4-dibromo-2-chloro-3-methylbenzene is Cc1c(Br)ccc(Br)c1Cl.
What is the InChIKey of 1,4-dibromo-2-chloro-3-methylbenzene?
The InChIKey is FTQQPQNDEZNBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2Cl/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3.
What are the key properties of 1,4-dibromo-2-chloro-3-methylbenzene?
1,4-dibromo-2-chloro-3-methylbenzene has a molecular weight of 284.38 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-chloro-3-methylbenzene is sourced from PubChem (CID 44891208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).