1-bromo-2-(chloromethyl)benzene

C7H6BrCl — CID 521816

IUPAC1-bromo-2-(chloromethyl)benzene
SMILESClCc1ccccc1Br
InChIInChI=1S/C7H6BrCl/c8-7-4-2-1-3-6(7)5-9/h1-4H,5H2
InChIKeyDDVSFIUKWUTKES-UHFFFAOYSA-N
MW205.48 g/mol
LogP3.19
Rot. Bonds1

About 1-bromo-2-(chloromethyl)benzene

1-bromo-2-(chloromethyl)benzene (PubChem CID 521816) has the molecular formula C7H6BrCl and a molecular weight of 205.48 g/mol. Its IUPAC name is 1-bromo-2-(chloromethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(chloromethyl)benzene
PubChem CID521816
Molecular FormulaC7H6BrCl
Molecular Weight205.48 g/mol
Exact Mass203.93
IUPAC Name1-bromo-2-(chloromethyl)benzene
SMILESClCc1ccccc1Br
InChIInChI=1S/C7H6BrCl/c8-7-4-2-1-3-6(7)5-9/h1-4H,5H2
InChIKeyDDVSFIUKWUTKES-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.48
LogP ≤ 53.19
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
2-Bromobenzyl bromide
CID 76965
2-Bromostyrene
CID 16264
p-Bromobenzyl chloride
CID 68528
2-Bromo-5-chlorotoluene
CID 84476
1-Bromo-3-(chloromethyl)benzene
CID 523059
1-Allyl-2-bromobenzene
CID 576065
2-Bromo-4-chloro-1-methylbenzene
CID 609898
2-(But-3-en-1-yl)bromobenzene
CID 3485712
(E)-(3-chloroprop-1-enyl)-4-bromobenzene
CID 13683458
1-Bromo-2-(fluoromethyl)benzene
CID 13555597
1-Bromo-2-(pent-4-en-1-yl)benzene
CID 18786487

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(chloromethyl)benzene?
The IUPAC name of 1-bromo-2-(chloromethyl)benzene (CID 521816) is 1-bromo-2-(chloromethyl)benzene.
What is the SMILES notation for 1-bromo-2-(chloromethyl)benzene?
The canonical SMILES for 1-bromo-2-(chloromethyl)benzene is ClCc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(chloromethyl)benzene?
The InChIKey is DDVSFIUKWUTKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl/c8-7-4-2-1-3-6(7)5-9/h1-4H,5H2.
What are the key properties of 1-bromo-2-(chloromethyl)benzene?
1-bromo-2-(chloromethyl)benzene has a molecular weight of 205.48 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(chloromethyl)benzene is sourced from PubChem (CID 521816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).