1-chloro-3-(1,2,3-tribromopropyl)benzene

C9H8Br3Cl — CID 151882586

IUPAC1-chloro-3-(1,2,3-tribromopropyl)benzene
SMILESClc1cccc(C(Br)C(Br)CBr)c1
InChIInChI=1S/C9H8Br3Cl/c10-5-8(11)9(12)6-2-1-3-7(13)4-6/h1-4,8-9H,5H2
InChIKeySPANQOJAAFVGIY-UHFFFAOYSA-N
MW391.33 g/mol
LogP4.93
Rot. Bonds3

About 1-chloro-3-(1,2,3-tribromopropyl)benzene

1-chloro-3-(1,2,3-tribromopropyl)benzene (PubChem CID 151882586) has the molecular formula C9H8Br3Cl and a molecular weight of 391.33 g/mol. Its IUPAC name is 1-chloro-3-(1,2,3-tribromopropyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(1,2,3-tribromopropyl)benzene
PubChem CID151882586
Molecular FormulaC9H8Br3Cl
Molecular Weight391.33 g/mol
Exact Mass387.79
IUPAC Name1-chloro-3-(1,2,3-tribromopropyl)benzene
SMILESClc1cccc(C(Br)C(Br)CBr)c1
InChIInChI=1S/C9H8Br3Cl/c10-5-8(11)9(12)6-2-1-3-7(13)4-6/h1-4,8-9H,5H2
InChIKeySPANQOJAAFVGIY-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 54.93
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

1-bromo-1-(3-chlorophenyl)propan-2-ol
CID 150342170
2-bromo-2-(3-chlorophenyl)ethanol
CID 22121388
(3-chlorophenyl)-fluoromethanol
CID 70239224
1-[1-bromo-2-(4-chlorophenyl)ethyl]-3-chlorobenzene
CID 63543130
1-(1-bromo-5-methoxy-3-methylpentan-2-yl)-3-chlorobenzene
CID 116500349
1-[2-bromo-1-(2-methylpropoxy)ethyl]-3-chlorobenzene
CID 62112370
(3-chlorophenyl)methanediol
CID 20679602
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-propan-2-ylbenzene
CID 79432003
1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene
CID 107310833
1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene
CID 105410987
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
2-[3-bromo-2-(3-chlorophenyl)propyl]-5-chlorothiophene
CID 79430000

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1,2,3-tribromopropyl)benzene?
The IUPAC name of 1-chloro-3-(1,2,3-tribromopropyl)benzene (CID 151882586) is 1-chloro-3-(1,2,3-tribromopropyl)benzene.
What is the SMILES notation for 1-chloro-3-(1,2,3-tribromopropyl)benzene?
The canonical SMILES for 1-chloro-3-(1,2,3-tribromopropyl)benzene is Clc1cccc(C(Br)C(Br)CBr)c1.
What is the InChIKey of 1-chloro-3-(1,2,3-tribromopropyl)benzene?
The InChIKey is SPANQOJAAFVGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br3Cl/c10-5-8(11)9(12)6-2-1-3-7(13)4-6/h1-4,8-9H,5H2.
What are the key properties of 1-chloro-3-(1,2,3-tribromopropyl)benzene?
1-chloro-3-(1,2,3-tribromopropyl)benzene has a molecular weight of 391.33 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1,2,3-tribromopropyl)benzene is sourced from PubChem (CID 151882586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).