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

C7H5Br2Cl — CID 11846505

IUPAC1-bromo-2-(bromomethyl)-4-chlorobenzene
SMILESClc1ccc(Br)c(CBr)c1
InChIInChI=1S/C7H5Br2Cl/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2
InChIKeyUTKGZXVMMFBCJC-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.00
Rot. Bonds1

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

1-bromo-2-(bromomethyl)-4-chlorobenzene (PubChem CID 11846505) has the molecular formula C7H5Br2Cl and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-4-chlorobenzene
PubChem CID11846505
Molecular FormulaC7H5Br2Cl
Molecular Weight284.38 g/mol
Exact Mass281.84
IUPAC Name1-bromo-2-(bromomethyl)-4-chlorobenzene
SMILESClc1ccc(Br)c(CBr)c1
InChIInChI=1S/C7H5Br2Cl/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2
InChIKeyUTKGZXVMMFBCJC-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-bromo-2-(bromomethyl)-4-chlorobenzene;2-(bromomethyl)-4-chloro-1-iodobenzene
CID 160827893
1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789
2-(bromomethyl)-4-chlorophenol
CID 67740326
O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine
CID 117345694
2-(2-bromo-5-chlorophenyl)acetaldehyde
CID 66159966
1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene
CID 134102081
2-(bromomethyl)-4-chloro-1-(trichloromethyl)benzene
CID 23333631
1-bromo-4-chloro-2-(3-chloro-2,2-dimethylpropyl)benzene
CID 130598218
1,4-dibromo-2,5-bis(bromomethyl)benzene
CID 640222
3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170865442
1-bromo-2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methoxy]benzene
CID 103038485
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-4-chlorobenzene?
The IUPAC name of 1-bromo-2-(bromomethyl)-4-chlorobenzene (CID 11846505) is 1-bromo-2-(bromomethyl)-4-chlorobenzene.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-4-chlorobenzene?
The canonical SMILES for 1-bromo-2-(bromomethyl)-4-chlorobenzene is Clc1ccc(Br)c(CBr)c1.
What is the InChIKey of 1-bromo-2-(bromomethyl)-4-chlorobenzene?
The InChIKey is UTKGZXVMMFBCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2Cl/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2.
What are the key properties of 1-bromo-2-(bromomethyl)-4-chlorobenzene?
1-bromo-2-(bromomethyl)-4-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-2-(bromomethyl)-4-chlorobenzene is sourced from PubChem (CID 11846505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).