1-bromo-4-(bromomethyl)-2-chlorobenzene

C7H5Br2Cl — CID 12947392

IUPAC1-bromo-4-(bromomethyl)-2-chlorobenzene
SMILESClc1cc(CBr)ccc1Br
InChIInChI=1S/C7H5Br2Cl/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKeyXCJXYTFYKPVYMK-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.00
Rot. Bonds1

About 1-bromo-4-(bromomethyl)-2-chlorobenzene

1-bromo-4-(bromomethyl)-2-chlorobenzene (PubChem CID 12947392) has the molecular formula C7H5Br2Cl and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-bromo-4-(bromomethyl)-2-chlorobenzene.

Molecular Properties

Compound Name1-bromo-4-(bromomethyl)-2-chlorobenzene
PubChem CID12947392
Molecular FormulaC7H5Br2Cl
Molecular Weight284.38 g/mol
Exact Mass281.84
IUPAC Name1-bromo-4-(bromomethyl)-2-chlorobenzene
SMILESClc1cc(CBr)ccc1Br
InChIInChI=1S/C7H5Br2Cl/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKeyXCJXYTFYKPVYMK-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(Bromomethyl)-3-chlorobenzene
CID 69838
1-Chloro-3-(dibromomethyl)benzene
CID 96715
Benzene, 2-bromo-1-chloro-4-methyl-
CID 284147
2-Bromo-5-chlorotoluene
CID 84476
4-Bromo-3,5-dichlorobenzotrifluoride
CID 1268256
(4-Bromo-3-chlorophenyl)acetonitrile
CID 59627726
4-Bromo-2-chlorotoluene
CID 2735554
3-Bromo-5-chlorotoluene
CID 10774638
1-Bromo-2-chloro-4-(trifluoromethyl)benzene
CID 14273266
4-Bromo-2-chloro-1-ethenylbenzene
CID 57842713
1-Bromo-4-chloro-2-ethenylbenzene
CID 66158069
1-Bromo-2-chloro-5-fluoro-4-methylbenzene
CID 2773272

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(bromomethyl)-2-chlorobenzene?
The IUPAC name of 1-bromo-4-(bromomethyl)-2-chlorobenzene (CID 12947392) is 1-bromo-4-(bromomethyl)-2-chlorobenzene.
What is the SMILES notation for 1-bromo-4-(bromomethyl)-2-chlorobenzene?
The canonical SMILES for 1-bromo-4-(bromomethyl)-2-chlorobenzene is Clc1cc(CBr)ccc1Br.
What is the InChIKey of 1-bromo-4-(bromomethyl)-2-chlorobenzene?
The InChIKey is XCJXYTFYKPVYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2Cl/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2.
What are the key properties of 1-bromo-4-(bromomethyl)-2-chlorobenzene?
1-bromo-4-(bromomethyl)-2-chlorobenzene has a molecular weight of 284.38 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(bromomethyl)-2-chlorobenzene is sourced from PubChem (CID 12947392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).