1,5-dibromo-3-chloro-2-(chloromethyl)benzene

C7H4Br2Cl2 — CID 171009724

IUPAC1,5-dibromo-3-chloro-2-(chloromethyl)benzene
SMILESClCc1c(Cl)cc(Br)cc1Br
InChIInChI=1S/C7H4Br2Cl2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-2H,3H2
InChIKeyMQLKRWQPTQHLBI-UHFFFAOYSA-N
MW318.82 g/mol
LogP4.60
Rot. Bonds1

About 1,5-dibromo-3-chloro-2-(chloromethyl)benzene

1,5-dibromo-3-chloro-2-(chloromethyl)benzene (PubChem CID 171009724) has the molecular formula C7H4Br2Cl2 and a molecular weight of 318.82 g/mol. Its IUPAC name is 1,5-dibromo-3-chloro-2-(chloromethyl)benzene.

Molecular Properties

Compound Name1,5-dibromo-3-chloro-2-(chloromethyl)benzene
PubChem CID171009724
Molecular FormulaC7H4Br2Cl2
Molecular Weight318.82 g/mol
Exact Mass315.81
IUPAC Name1,5-dibromo-3-chloro-2-(chloromethyl)benzene
SMILESClCc1c(Cl)cc(Br)cc1Br
InChIInChI=1S/C7H4Br2Cl2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-2H,3H2
InChIKeyMQLKRWQPTQHLBI-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 54.60
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

methyl 3-bromo-5-chloro-4-(chloromethyl)benzoate
CID 171023317
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2,4-dibromo-6-chloroaniline
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1,5-dibromo-3-chloro-2-iodobenzene
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1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene
CID 131587303
1,2,3,4,5-pentabromo-6-[2-(2,4,6-tribromophenyl)ethyl]benzene
CID 10887330
5-bromo-1-chloro-2-ethyl-3-methoxybenzene
CID 84707034
5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene
CID 148761209
(4-bromo-2-tert-butyl-6-chlorophenyl)methanamine
CID 67276400
2-(aminomethyl)-5-bromo-3-chlorobenzonitrile
CID 171013590
(3-bromo-5-chloro-2,6-dimethylphenyl)methanol
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6,8-dibromo-2-chloro-3-(chloromethyl)quinoline
CID 63530380

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-chloro-2-(chloromethyl)benzene?
The IUPAC name of 1,5-dibromo-3-chloro-2-(chloromethyl)benzene (CID 171009724) is 1,5-dibromo-3-chloro-2-(chloromethyl)benzene.
What is the SMILES notation for 1,5-dibromo-3-chloro-2-(chloromethyl)benzene?
The canonical SMILES for 1,5-dibromo-3-chloro-2-(chloromethyl)benzene is ClCc1c(Cl)cc(Br)cc1Br.
What is the InChIKey of 1,5-dibromo-3-chloro-2-(chloromethyl)benzene?
The InChIKey is MQLKRWQPTQHLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2Cl2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-2H,3H2.
What are the key properties of 1,5-dibromo-3-chloro-2-(chloromethyl)benzene?
1,5-dibromo-3-chloro-2-(chloromethyl)benzene has a molecular weight of 318.82 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-chloro-2-(chloromethyl)benzene is sourced from PubChem (CID 171009724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).