(6-bromocyclohexa-2,4-dien-1-yl)benzene

C12H11Br — CID 126636127

IUPAC(6-bromocyclohexa-2,4-dien-1-yl)benzene
SMILESBrC1C=CC=CC1c1ccccc1
InChIInChI=1S/C12H11Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,11-12H
InChIKeyITGJLLSCTVVOIP-UHFFFAOYSA-N
MW235.12 g/mol
LogP3.66
Rot. Bonds1

About (6-bromocyclohexa-2,4-dien-1-yl)benzene

(6-bromocyclohexa-2,4-dien-1-yl)benzene (PubChem CID 126636127) has the molecular formula C12H11Br and a molecular weight of 235.12 g/mol. Its IUPAC name is (6-bromocyclohexa-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(6-bromocyclohexa-2,4-dien-1-yl)benzene
PubChem CID126636127
Molecular FormulaC12H11Br
Molecular Weight235.12 g/mol
Exact Mass234.00
IUPAC Name(6-bromocyclohexa-2,4-dien-1-yl)benzene
SMILESBrC1C=CC=CC1c1ccccc1
InChIInChI=1S/C12H11Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,11-12H
InChIKeyITGJLLSCTVVOIP-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-bromocyclohexa-2,4-dien-1-yl)benzene?
The IUPAC name of (6-bromocyclohexa-2,4-dien-1-yl)benzene (CID 126636127) is (6-bromocyclohexa-2,4-dien-1-yl)benzene.
What is the SMILES notation for (6-bromocyclohexa-2,4-dien-1-yl)benzene?
The canonical SMILES for (6-bromocyclohexa-2,4-dien-1-yl)benzene is BrC1C=CC=CC1c1ccccc1.
What is the InChIKey of (6-bromocyclohexa-2,4-dien-1-yl)benzene?
The InChIKey is ITGJLLSCTVVOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,11-12H.
What are the key properties of (6-bromocyclohexa-2,4-dien-1-yl)benzene?
(6-bromocyclohexa-2,4-dien-1-yl)benzene has a molecular weight of 235.12 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromocyclohexa-2,4-dien-1-yl)benzene is sourced from PubChem (CID 126636127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).