1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene

C9H8Br3Cl — CID 10960134

IUPAC1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene
SMILESClc1cccc(C(Br)(CBr)CBr)c1
InChIInChI=1S/C9H8Br3Cl/c10-5-9(12,6-11)7-2-1-3-8(13)4-7/h1-4H,5-6H2
InChIKeyPGYMKIYIJLOUIG-UHFFFAOYSA-N
MW391.33 g/mol
LogP4.72
Rot. Bonds3

About 1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene

1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene (PubChem CID 10960134) has the molecular formula C9H8Br3Cl and a molecular weight of 391.33 g/mol. Its IUPAC name is 1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene
PubChem CID10960134
Molecular FormulaC9H8Br3Cl
Molecular Weight391.33 g/mol
Exact Mass387.79
IUPAC Name1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene
SMILESClc1cccc(C(Br)(CBr)CBr)c1
InChIInChI=1S/C9H8Br3Cl/c10-5-9(12,6-11)7-2-1-3-8(13)4-7/h1-4H,5-6H2
InChIKeyPGYMKIYIJLOUIG-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
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

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CID 103985355
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CID 15877621
1-bromo-4,4,4-trichloro-2-(3-chlorophenyl)butan-2-ol
CID 21406926
1-chloro-3-tritylbenzene
CID 14737306
1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-3-chlorobenzene
CID 83169386
2-bromo-5-[3-bromo-2-(bromomethyl)-2-(3-chlorophenyl)propyl]thiophene
CID 79456321
1-[1-bromo-2-(bromomethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-yl]-3-chlorobenzene
CID 79446848
1-[bromo-bis(3-methylphenyl)methyl]-3-chlorobenzene
CID 90697476
1-(4-bromo-2-methylpentan-2-yl)-3-chlorobenzene
CID 64718125
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
CID 10585384
1-chloro-3-(2,3-dimethylbutan-2-yl)benzene
CID 118359606
3-[1,3-dibromo-2-(3-chlorophenyl)propan-2-yl]thiolane 1,1-dioxide
CID 79455512

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene?
The IUPAC name of 1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene (CID 10960134) is 1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene.
What is the SMILES notation for 1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene?
The canonical SMILES for 1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene is Clc1cccc(C(Br)(CBr)CBr)c1.
What is the InChIKey of 1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene?
The InChIKey is PGYMKIYIJLOUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br3Cl/c10-5-9(12,6-11)7-2-1-3-8(13)4-7/h1-4H,5-6H2.
What are the key properties of 1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene?
1-chloro-3-(1,2,3-tribromopropan-2-yl)benzene has a molecular weight of 391.33 g/mol, XLogP of 4.72, 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-tribromopropan-2-yl)benzene is sourced from PubChem (CID 10960134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).