2-bromo-1,3-dichloro-5-propan-2-ylbenzene

C9H9BrCl2 — CID 90153493

IUPAC2-bromo-1,3-dichloro-5-propan-2-ylbenzene
SMILESCC(C)c1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C9H9BrCl2/c1-5(2)6-3-7(11)9(10)8(12)4-6/h3-5H,1-2H3
InChIKeyAUHUORLXDWGKTK-UHFFFAOYSA-N
MW267.98 g/mol
LogP4.88
Rot. Bonds1

About 2-bromo-1,3-dichloro-5-propan-2-ylbenzene

2-bromo-1,3-dichloro-5-propan-2-ylbenzene (PubChem CID 90153493) has the molecular formula C9H9BrCl2 and a molecular weight of 267.98 g/mol. Its IUPAC name is 2-bromo-1,3-dichloro-5-propan-2-ylbenzene.

Molecular Properties

Compound Name2-bromo-1,3-dichloro-5-propan-2-ylbenzene
PubChem CID90153493
Molecular FormulaC9H9BrCl2
Molecular Weight267.98 g/mol
Exact Mass265.93
IUPAC Name2-bromo-1,3-dichloro-5-propan-2-ylbenzene
SMILESCC(C)c1cc(Cl)c(Br)c(Cl)c1
InChIInChI=1S/C9H9BrCl2/c1-5(2)6-3-7(11)9(10)8(12)4-6/h3-5H,1-2H3
InChIKeyAUHUORLXDWGKTK-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.98
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-3,5-dichlorobenzotrifluoride
CID 1268256
2-Bromo-1,3-dichloro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 12040587
1-Bromo-2-chloro-4,5-dimethylbenzene
CID 246684
1-Bromo-2-chloro-5-fluoro-4-methylbenzene
CID 2773272
4-Bromo-3-chlorotoluene
CID 138789
1-Bromo-2-chloro-4-(propan-2-yl)benzene
CID 20739733
2-Bromo-1,5-dichloro-3-methylbenzene
CID 56604775
1-Bromo-2-chloro-4-ethylbenzene
CID 57531706
4-Bromo-2-chloro-1-(propan-2-yl)benzene
CID 59596452
1-Bromo-2-chloro-4-cyclopropylbenzene
CID 66520823
1-Bromo-3-chloro-5-(propan-2-yl)benzene
CID 67988281
1-(1-Bromoethyl)-3,5-dichlorobenzene
CID 77231176

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dichloro-5-propan-2-ylbenzene?
The IUPAC name of 2-bromo-1,3-dichloro-5-propan-2-ylbenzene (CID 90153493) is 2-bromo-1,3-dichloro-5-propan-2-ylbenzene.
What is the SMILES notation for 2-bromo-1,3-dichloro-5-propan-2-ylbenzene?
The canonical SMILES for 2-bromo-1,3-dichloro-5-propan-2-ylbenzene is CC(C)c1cc(Cl)c(Br)c(Cl)c1.
What is the InChIKey of 2-bromo-1,3-dichloro-5-propan-2-ylbenzene?
The InChIKey is AUHUORLXDWGKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2/c1-5(2)6-3-7(11)9(10)8(12)4-6/h3-5H,1-2H3.
What are the key properties of 2-bromo-1,3-dichloro-5-propan-2-ylbenzene?
2-bromo-1,3-dichloro-5-propan-2-ylbenzene has a molecular weight of 267.98 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dichloro-5-propan-2-ylbenzene is sourced from PubChem (CID 90153493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).