1-bromo-3-(dibromomethyl)benzene

C7H5Br3 — CID 4162834

IUPAC1-bromo-3-(dibromomethyl)benzene
SMILESBrc1cccc(C(Br)Br)c1
InChIInChI=1S/C7H5Br3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H
InChIKeyOEPBSLYAWOMXFD-UHFFFAOYSA-N
MW328.83 g/mol
LogP4.24
Rot. Bonds1

About 1-bromo-3-(dibromomethyl)benzene

1-bromo-3-(dibromomethyl)benzene (PubChem CID 4162834) has the molecular formula C7H5Br3 and a molecular weight of 328.83 g/mol. Its IUPAC name is 1-bromo-3-(dibromomethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(dibromomethyl)benzene
PubChem CID4162834
Molecular FormulaC7H5Br3
Molecular Weight328.83 g/mol
Exact Mass325.79
IUPAC Name1-bromo-3-(dibromomethyl)benzene
SMILESBrc1cccc(C(Br)Br)c1
InChIInChI=1S/C7H5Br3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H
InChIKeyOEPBSLYAWOMXFD-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 54.24
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

2-Bromotoluene
CID 7236
4-Bromotoluene
CID 7805
3-Bromotoluene
CID 11560
Benzyl Bromide
CID 7498
3-Bromobiphenyl
CID 16449
4-Bromobenzyl bromide
CID 68527
(1,2-Dibromoethyl)benzene
CID 7145
(1-Bromoethyl)benzene
CID 11454
1,4-Bis(bromomethyl)benzene
CID 69335
3,3'-Dibromobiphenyl
CID 153987
1-Bromo-4-ethylbenzene
CID 15313
Benzene, 2-bromo-1,4-dimethyl-
CID 11121

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(dibromomethyl)benzene?
The IUPAC name of 1-bromo-3-(dibromomethyl)benzene (CID 4162834) is 1-bromo-3-(dibromomethyl)benzene.
What is the SMILES notation for 1-bromo-3-(dibromomethyl)benzene?
The canonical SMILES for 1-bromo-3-(dibromomethyl)benzene is Brc1cccc(C(Br)Br)c1.
What is the InChIKey of 1-bromo-3-(dibromomethyl)benzene?
The InChIKey is OEPBSLYAWOMXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,7H.
What are the key properties of 1-bromo-3-(dibromomethyl)benzene?
1-bromo-3-(dibromomethyl)benzene has a molecular weight of 328.83 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(dibromomethyl)benzene is sourced from PubChem (CID 4162834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).