(5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene

C7H6Br2 — CID 22993244

IUPAC(5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene
SMILESBr/C=C1/C=CC(Br)=CC1
InChIInChI=1S/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1,3-5H,2H2/b6-5-
InChIKeyUEAOCAMAMOLXND-WAYWQWQTSA-N
MW249.93 g/mol
LogP3.50
Rot. Bonds

About (5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene

(5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene (PubChem CID 22993244) has the molecular formula C7H6Br2 and a molecular weight of 249.93 g/mol. Its IUPAC name is (5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene
PubChem CID22993244
Molecular FormulaC7H6Br2
Molecular Weight249.93 g/mol
Exact Mass247.88
IUPAC Name(5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene
SMILESBr/C=C1/C=CC(Br)=CC1
InChIInChI=1S/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1,3-5H,2H2/b6-5-
InChIKeyUEAOCAMAMOLXND-WAYWQWQTSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.93
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene?
The IUPAC name of (5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene (CID 22993244) is (5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene.
What is the SMILES notation for (5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene?
The canonical SMILES for (5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene is Br/C=C1/C=CC(Br)=CC1.
What is the InChIKey of (5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene?
The InChIKey is UEAOCAMAMOLXND-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1,3-5H,2H2/b6-5-.
What are the key properties of (5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene?
(5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene has a molecular weight of 249.93 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-bromo-5-(bromomethylidene)cyclohexa-1,3-diene is sourced from PubChem (CID 22993244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).