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

C8H6Br3Cl — CID 90105883

IUPAC4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene
SMILESClCc1cc(Br)ccc1C(Br)Br
InChIInChI=1S/C8H6Br3Cl/c9-6-1-2-7(8(10)11)5(3-6)4-12/h1-3,8H,4H2
InChIKeyMACOWICZNBUAAO-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.98
Rot. Bonds2

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

4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene (PubChem CID 90105883) has the molecular formula C8H6Br3Cl and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene.

Molecular Properties

Compound Name4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene
PubChem CID90105883
Molecular FormulaC8H6Br3Cl
Molecular Weight377.30 g/mol
Exact Mass373.77
IUPAC Name4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene
SMILESClCc1cc(Br)ccc1C(Br)Br
InChIInChI=1S/C8H6Br3Cl/c9-6-1-2-7(8(10)11)5(3-6)4-12/h1-3,8H,4H2
InChIKeyMACOWICZNBUAAO-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.98
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-(bromomethyl)-1-(chloromethyl)benzene
CID 90107482
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4-bromo-2-(chloromethyl)-1-phenylbenzene
CID 57057956
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
4-bromo-2-butyl-1-(chloromethyl)benzene
CID 118230825
1-azido-4-bromo-2-(chloromethyl)benzene
CID 101236456
1-bromo-3-[4-bromo-2-(chloromethyl)phenyl]propan-2-one
CID 131323890
4-bromo-2-(chloromethyl)-1-(trifluoromethoxy)benzene
CID 72699152
2-[4-bromo-2-(3-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118828004
4-bromo-2-(chloromethyl)-1-(2-ethoxyphenoxy)benzene
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5-bromo-2-(chloromethyl)-N,N-dimethylaniline;hydrochloride
CID 173377979

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene?
The IUPAC name of 4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene (CID 90105883) is 4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene.
What is the SMILES notation for 4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene?
The canonical SMILES for 4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene is ClCc1cc(Br)ccc1C(Br)Br.
What is the InChIKey of 4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene?
The InChIKey is MACOWICZNBUAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br3Cl/c9-6-1-2-7(8(10)11)5(3-6)4-12/h1-3,8H,4H2.
What are the key properties of 4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene?
4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene has a molecular weight of 377.30 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(chloromethyl)-1-(dibromomethyl)benzene is sourced from PubChem (CID 90105883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).