(5Z,7Z)-4-bromobenzo[8]annulene

C12H9Br — CID 173352448

IUPAC(5Z,7Z)-4-bromobenzo[8]annulene
SMILESBrc1cccc2c1/C=C\C=C/C=C2
InChIInChI=1S/C12H9Br/c13-12-9-5-7-10-6-3-1-2-4-8-11(10)12/h1-9H/b2-1-,3-1?,4-2-,6-3?,8-4-,10-6?,11-8+
InChIKeyAVLJJEQMUNONKM-DYAUSCEASA-N
MW233.11 g/mol
LogP4.05
Rot. Bonds

About (5Z,7Z)-4-bromobenzo[8]annulene

(5Z,7Z)-4-bromobenzo[8]annulene (PubChem CID 173352448) has the molecular formula C12H9Br and a molecular weight of 233.11 g/mol. Its IUPAC name is (5Z,7Z)-4-bromobenzo[8]annulene.

Molecular Properties

Compound Name(5Z,7Z)-4-bromobenzo[8]annulene
PubChem CID173352448
Molecular FormulaC12H9Br
Molecular Weight233.11 g/mol
Exact Mass231.99
IUPAC Name(5Z,7Z)-4-bromobenzo[8]annulene
SMILESBrc1cccc2c1/C=C\C=C/C=C2
InChIInChI=1S/C12H9Br/c13-12-9-5-7-10-6-3-1-2-4-8-11(10)12/h1-9H/b2-1-,3-1?,4-2-,6-3?,8-4-,10-6?,11-8+
InChIKeyAVLJJEQMUNONKM-DYAUSCEASA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-4-bromobenzo[8]annulene?
The IUPAC name of (5Z,7Z)-4-bromobenzo[8]annulene (CID 173352448) is (5Z,7Z)-4-bromobenzo[8]annulene.
What is the SMILES notation for (5Z,7Z)-4-bromobenzo[8]annulene?
The canonical SMILES for (5Z,7Z)-4-bromobenzo[8]annulene is Brc1cccc2c1/C=C\C=C/C=C2.
What is the InChIKey of (5Z,7Z)-4-bromobenzo[8]annulene?
The InChIKey is AVLJJEQMUNONKM-DYAUSCEASA-N. The full InChI is InChI=1S/C12H9Br/c13-12-9-5-7-10-6-3-1-2-4-8-11(10)12/h1-9H/b2-1-,3-1?,4-2-,6-3?,8-4-,10-6?,11-8+.
What are the key properties of (5Z,7Z)-4-bromobenzo[8]annulene?
(5Z,7Z)-4-bromobenzo[8]annulene has a molecular weight of 233.11 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-4-bromobenzo[8]annulene is sourced from PubChem (CID 173352448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).