1-(2-bromocyclobuten-1-yl)-4-chlorobenzene

C10H8BrCl — CID 164680892

IUPAC1-(2-bromocyclobuten-1-yl)-4-chlorobenzene
SMILESClc1ccc(C2=C(Br)CC2)cc1
InChIInChI=1S/C10H8BrCl/c11-10-6-5-9(10)7-1-3-8(12)4-2-7/h1-4H,5-6H2
InChIKeyUYPCQJHSEOTFAC-UHFFFAOYSA-N
MW243.53 g/mol
LogP4.24
Rot. Bonds1

About 1-(2-bromocyclobuten-1-yl)-4-chlorobenzene

1-(2-bromocyclobuten-1-yl)-4-chlorobenzene (PubChem CID 164680892) has the molecular formula C10H8BrCl and a molecular weight of 243.53 g/mol. Its IUPAC name is 1-(2-bromocyclobuten-1-yl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(2-bromocyclobuten-1-yl)-4-chlorobenzene
PubChem CID164680892
Molecular FormulaC10H8BrCl
Molecular Weight243.53 g/mol
Exact Mass241.95
IUPAC Name1-(2-bromocyclobuten-1-yl)-4-chlorobenzene
SMILESClc1ccc(C2=C(Br)CC2)cc1
InChIInChI=1S/C10H8BrCl/c11-10-6-5-9(10)7-1-3-8(12)4-2-7/h1-4H,5-6H2
InChIKeyUYPCQJHSEOTFAC-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclobuten-1-yl)-4-chlorobenzene?
The IUPAC name of 1-(2-bromocyclobuten-1-yl)-4-chlorobenzene (CID 164680892) is 1-(2-bromocyclobuten-1-yl)-4-chlorobenzene.
What is the SMILES notation for 1-(2-bromocyclobuten-1-yl)-4-chlorobenzene?
The canonical SMILES for 1-(2-bromocyclobuten-1-yl)-4-chlorobenzene is Clc1ccc(C2=C(Br)CC2)cc1.
What is the InChIKey of 1-(2-bromocyclobuten-1-yl)-4-chlorobenzene?
The InChIKey is UYPCQJHSEOTFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl/c11-10-6-5-9(10)7-1-3-8(12)4-2-7/h1-4H,5-6H2.
What are the key properties of 1-(2-bromocyclobuten-1-yl)-4-chlorobenzene?
1-(2-bromocyclobuten-1-yl)-4-chlorobenzene has a molecular weight of 243.53 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclobuten-1-yl)-4-chlorobenzene is sourced from PubChem (CID 164680892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).