4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene

C8H7Br2Cl — CID 90107482

IUPAC4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene
SMILESClCc1ccc(Br)cc1CBr
InChIInChI=1S/C8H7Br2Cl/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3H,4-5H2
InChIKeyIUSSXXLSFXBPLH-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.08
Rot. Bonds2

About 4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene

4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene (PubChem CID 90107482) has the molecular formula C8H7Br2Cl and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene
PubChem CID90107482
Molecular FormulaC8H7Br2Cl
Molecular Weight298.41 g/mol
Exact Mass295.86
IUPAC Name4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene
SMILESClCc1ccc(Br)cc1CBr
InChIInChI=1S/C8H7Br2Cl/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3H,4-5H2
InChIKeyIUSSXXLSFXBPLH-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.08
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

4-bromo-2-butyl-1-(chloromethyl)benzene
CID 118230825
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4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
1-benzyl-4-bromo-2-(bromomethyl)benzene
CID 54290148
4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene
CID 90105883
4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
CID 28981483
5-bromo-2-(chloromethyl)-N,N-dimethylaniline;hydrochloride
CID 173377979
4-bromo-2-(chloromethyl)-1-phenylbenzene
CID 57057956
4-bromo-1-(bromomethyl)-2-isocyanobenzene
CID 164717115
5-bromo-2-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63541934
1-[5-bromo-2-(chloromethyl)phenyl]pyrrolidine
CID 43365127
1-azido-4-bromo-2-(chloromethyl)benzene
CID 101236456

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene?
The IUPAC name of 4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene (CID 90107482) is 4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene?
The canonical SMILES for 4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene is ClCc1ccc(Br)cc1CBr.
What is the InChIKey of 4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene?
The InChIKey is IUSSXXLSFXBPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2Cl/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3H,4-5H2.
What are the key properties of 4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene?
4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene has a molecular weight of 298.41 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-1-(chloromethyl)benzene is sourced from PubChem (CID 90107482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).