4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene

C9H7BrCl2 — CID 87184625

IUPAC4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene
SMILESC/C(=C\Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7BrCl2/c1-6(5-10)7-2-3-8(11)9(12)4-7/h2-5H,1H3/b6-5+
InChIKeyKXSBFMZEXKZGJC-AATRIKPKSA-N
MW265.96 g/mol
LogP4.75
Rot. Bonds1

About 4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene

4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene (PubChem CID 87184625) has the molecular formula C9H7BrCl2 and a molecular weight of 265.96 g/mol. Its IUPAC name is 4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene.

Molecular Properties

Compound Name4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene
PubChem CID87184625
Molecular FormulaC9H7BrCl2
Molecular Weight265.96 g/mol
Exact Mass263.91
IUPAC Name4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene
SMILESC/C(=C\Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7BrCl2/c1-6(5-10)7-2-3-8(11)9(12)4-7/h2-5H,1H3/b6-5+
InChIKeyKXSBFMZEXKZGJC-AATRIKPKSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.96
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene?
The IUPAC name of 4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene (CID 87184625) is 4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene.
What is the SMILES notation for 4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene?
The canonical SMILES for 4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene is C/C(=C\Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene?
The InChIKey is KXSBFMZEXKZGJC-AATRIKPKSA-N. The full InChI is InChI=1S/C9H7BrCl2/c1-6(5-10)7-2-3-8(11)9(12)4-7/h2-5H,1H3/b6-5+.
What are the key properties of 4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene?
4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene has a molecular weight of 265.96 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-bromoprop-1-en-2-yl]-1,2-dichlorobenzene is sourced from PubChem (CID 87184625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).