4-bromo-1-chloro-2-prop-1-en-2-ylbenzene

C9H8BrCl — CID 68562751

IUPAC4-bromo-1-chloro-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H8BrCl/c1-6(2)8-5-7(10)3-4-9(8)11/h3-5H,1H2,2H3
InChIKeyFEOVLGDAHVPWOZ-UHFFFAOYSA-N
MW231.52 g/mol
LogP4.14
Rot. Bonds1

About 4-bromo-1-chloro-2-prop-1-en-2-ylbenzene

4-bromo-1-chloro-2-prop-1-en-2-ylbenzene (PubChem CID 68562751) has the molecular formula C9H8BrCl and a molecular weight of 231.52 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-prop-1-en-2-ylbenzene
PubChem CID68562751
Molecular FormulaC9H8BrCl
Molecular Weight231.52 g/mol
Exact Mass229.95
IUPAC Name4-bromo-1-chloro-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H8BrCl/c1-6(2)8-5-7(10)3-4-9(8)11/h3-5H,1H2,2H3
InChIKeyFEOVLGDAHVPWOZ-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-prop-1-en-2-ylbenzene?
The IUPAC name of 4-bromo-1-chloro-2-prop-1-en-2-ylbenzene (CID 68562751) is 4-bromo-1-chloro-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 4-bromo-1-chloro-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 4-bromo-1-chloro-2-prop-1-en-2-ylbenzene is C=C(C)c1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-prop-1-en-2-ylbenzene?
The InChIKey is FEOVLGDAHVPWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl/c1-6(2)8-5-7(10)3-4-9(8)11/h3-5H,1H2,2H3.
What are the key properties of 4-bromo-1-chloro-2-prop-1-en-2-ylbenzene?
4-bromo-1-chloro-2-prop-1-en-2-ylbenzene has a molecular weight of 231.52 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 68562751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).