4-(3-bromopropyl)-1-chloro-2-iodobenzene

C9H9BrClI — CID 118818875

IUPAC4-(3-bromopropyl)-1-chloro-2-iodobenzene
SMILESClc1ccc(CCCBr)cc1I
InChIInChI=1S/C9H9BrClI/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6H,1-2,5H2
InChIKeyDHDFXDDCRVKUBD-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.27
Rot. Bonds3

About 4-(3-bromopropyl)-1-chloro-2-iodobenzene

4-(3-bromopropyl)-1-chloro-2-iodobenzene (PubChem CID 118818875) has the molecular formula C9H9BrClI and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(3-bromopropyl)-1-chloro-2-iodobenzene.

Molecular Properties

Compound Name4-(3-bromopropyl)-1-chloro-2-iodobenzene
PubChem CID118818875
Molecular FormulaC9H9BrClI
Molecular Weight359.43 g/mol
Exact Mass357.86
IUPAC Name4-(3-bromopropyl)-1-chloro-2-iodobenzene
SMILESClc1ccc(CCCBr)cc1I
InChIInChI=1S/C9H9BrClI/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6H,1-2,5H2
InChIKeyDHDFXDDCRVKUBD-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromopropyl)-2-chloro-1-methylbenzene
CID 59407652
4-(3-bromopropyl)-2-ethyl-1-iodobenzene
CID 118835842
2-(3-bromopropyl)-1-chloro-3-iodobenzene
CID 118830271
1-bromo-3-(4-chloro-3-iodophenyl)propan-2-one
CID 131054560
(2S)-4-(4-chloro-3-iodophenyl)butan-2-amine
CID 130700348
4-(4-chloro-3-iodophenyl)butan-2-amine
CID 130054291
1,3-bis(3-bromopropyl)benzene;ethane
CID 155596477
1-(3-bromopropyl)-2-chloro-4-iodobenzene
CID 118830135
2-amino-5-(3-bromopropyl)benzenethiol
CID 118818267
4-(2-bromoethyl)-1-chloro-2-methylbenzene
CID 70098865
4-(3-bromopropyl)-2-(chloromethyl)-1-methylbenzene
CID 131431431
1-(10-bromodecyl)-4-chlorobenzene
CID 10782757

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropyl)-1-chloro-2-iodobenzene?
The IUPAC name of 4-(3-bromopropyl)-1-chloro-2-iodobenzene (CID 118818875) is 4-(3-bromopropyl)-1-chloro-2-iodobenzene.
What is the SMILES notation for 4-(3-bromopropyl)-1-chloro-2-iodobenzene?
The canonical SMILES for 4-(3-bromopropyl)-1-chloro-2-iodobenzene is Clc1ccc(CCCBr)cc1I.
What is the InChIKey of 4-(3-bromopropyl)-1-chloro-2-iodobenzene?
The InChIKey is DHDFXDDCRVKUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClI/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6H,1-2,5H2.
What are the key properties of 4-(3-bromopropyl)-1-chloro-2-iodobenzene?
4-(3-bromopropyl)-1-chloro-2-iodobenzene has a molecular weight of 359.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)-1-chloro-2-iodobenzene is sourced from PubChem (CID 118818875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).