1,3-dibromo-2-(chloromethyl)benzene

C7H5Br2Cl — CID 817209

IUPAC1,3-dibromo-2-(chloromethyl)benzene
SMILESClCc1c(Br)cccc1Br
InChIInChI=1S/C7H5Br2Cl/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4H2
InChIKeyZQXXGYGHMXZRRY-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.95
Rot. Bonds1

About 1,3-dibromo-2-(chloromethyl)benzene

1,3-dibromo-2-(chloromethyl)benzene (PubChem CID 817209) has the molecular formula C7H5Br2Cl and a molecular weight of 284.38 g/mol. Its IUPAC name is 1,3-dibromo-2-(chloromethyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-2-(chloromethyl)benzene
PubChem CID817209
Molecular FormulaC7H5Br2Cl
Molecular Weight284.38 g/mol
Exact Mass281.84
IUPAC Name1,3-dibromo-2-(chloromethyl)benzene
SMILESClCc1c(Br)cccc1Br
InChIInChI=1S/C7H5Br2Cl/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4H2
InChIKeyZQXXGYGHMXZRRY-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
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-Bromobenzyl bromide
CID 76965
2,4-Dibromotoluene
CID 94421
2,4,6-Tribromotoluene
CID 33916
p-Bromobenzyl chloride
CID 68528
1-Bromo-2-(chloromethyl)benzene
CID 521816
2,6-Dibromotoluene
CID 34681
1-Bromo-3-(chloromethyl)benzene
CID 523059
(E)-(3-chloroprop-1-enyl)-4-bromobenzene
CID 13683458
2,4-Dibromo-1-(bromomethyl)benzene
CID 12389937
1,3-Dibromo-2-(bromomethyl)benzene
CID 13381015
1-Bromo-2-(chlorodifluoromethyl)benzene
CID 20072169
1-Bromo-3-(chloromethyl)-2-methylbenzene
CID 20072359

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-(chloromethyl)benzene?
The IUPAC name of 1,3-dibromo-2-(chloromethyl)benzene (CID 817209) is 1,3-dibromo-2-(chloromethyl)benzene.
What is the SMILES notation for 1,3-dibromo-2-(chloromethyl)benzene?
The canonical SMILES for 1,3-dibromo-2-(chloromethyl)benzene is ClCc1c(Br)cccc1Br.
What is the InChIKey of 1,3-dibromo-2-(chloromethyl)benzene?
The InChIKey is ZQXXGYGHMXZRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2Cl/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4H2.
What are the key properties of 1,3-dibromo-2-(chloromethyl)benzene?
1,3-dibromo-2-(chloromethyl)benzene has a molecular weight of 284.38 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-(chloromethyl)benzene is sourced from PubChem (CID 817209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).