1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene

C10H11BrCl2 — CID 118830925

IUPAC1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene
SMILESClCc1cc(Cl)ccc1CCCBr
InChIInChI=1S/C10H11BrCl2/c11-5-1-2-8-3-4-10(13)6-9(8)7-12/h3-4,6H,1-2,5,7H2
InChIKeyCRJUIMPVVVJVFU-UHFFFAOYSA-N
MW282.01 g/mol
LogP4.41
Rot. Bonds4

About 1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene

1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene (PubChem CID 118830925) has the molecular formula C10H11BrCl2 and a molecular weight of 282.01 g/mol. Its IUPAC name is 1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene.

Molecular Properties

Compound Name1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene
PubChem CID118830925
Molecular FormulaC10H11BrCl2
Molecular Weight282.01 g/mol
Exact Mass279.94
IUPAC Name1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene
SMILESClCc1cc(Cl)ccc1CCCBr
InChIInChI=1S/C10H11BrCl2/c11-5-1-2-8-3-4-10(13)6-9(8)7-12/h3-4,6H,1-2,5,7H2
InChIKeyCRJUIMPVVVJVFU-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.01
LogP ≤ 54.41
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-(3-bromopropyl)-5-chlorophenol
CID 118836469
2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene
CID 118807576
3-(3-bromopropyl)-4-(chloromethyl)phenol
CID 131307247
1-(3-bromopropyl)-4-chloro-2-nitrobenzene
CID 118835847
2-(3-bromopropyl)-5-(chloromethyl)phenol
CID 131308340
1-(6-bromohexyl)-4-chloro-2-nitrobenzene
CID 10734509
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene
CID 18443836
1-(3-bromopropyl)-2-chloro-4-iodobenzene
CID 118830135
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene
CID 131342110
4-(3-bromopropyl)-2-(chloromethyl)-1-methylbenzene
CID 131431431

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene?
The IUPAC name of 1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene (CID 118830925) is 1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene.
What is the SMILES notation for 1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene?
The canonical SMILES for 1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene is ClCc1cc(Cl)ccc1CCCBr.
What is the InChIKey of 1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene?
The InChIKey is CRJUIMPVVVJVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2/c11-5-1-2-8-3-4-10(13)6-9(8)7-12/h3-4,6H,1-2,5,7H2.
What are the key properties of 1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene?
1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene has a molecular weight of 282.01 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-4-chloro-2-(chloromethyl)benzene is sourced from PubChem (CID 118830925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).