1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene

C16H13BrCl2 — CID 160590050

IUPAC1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene
SMILESC=Cc1c(Cl)cccc1Cl.C=Cc1ccccc1Br
InChIInChI=1S/C8H7Br.C8H6Cl2/c1-2-7-5-3-4-6-8(7)9;1-2-6-7(9)4-3-5-8(6)10/h2-6H,1H2;2-5H,1H2
InChIKeyRCWWKFLBBIDGSH-UHFFFAOYSA-N
MW356.09 g/mol
LogP6.73
Rot. Bonds2

About 1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene

1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene (PubChem CID 160590050) has the molecular formula C16H13BrCl2 and a molecular weight of 356.09 g/mol. Its IUPAC name is 1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene.

Molecular Properties

Compound Name1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene
PubChem CID160590050
Molecular FormulaC16H13BrCl2
Molecular Weight356.09 g/mol
Exact Mass353.96
IUPAC Name1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene
SMILESC=Cc1c(Cl)cccc1Cl.C=Cc1ccccc1Br
InChIInChI=1S/C8H7Br.C8H6Cl2/c1-2-7-5-3-4-6-8(7)9;1-2-6-7(9)4-3-5-8(6)10/h2-6H,1H2;2-5H,1H2
InChIKeyRCWWKFLBBIDGSH-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.09
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 12939405
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CID 123552
2-Bromo-4,6-dichlorotoluene
CID 10263661
1-Bromo-3-chloro-2-(chloromethyl)benzene
CID 118998620
1,3-dibromo-5-[(E)-2-(2,6-dichlorophenyl)ethenyl]benzene
CID 137654000
1-Bromo-3-chloro-2-(prop-2-en-1-yl)benzene
CID 130505915
1-Bromo-2-[(4-chlorophenyl)ethynyl]benzene
CID 53375638
2-(2-Bromophenyl)-1-chloro-3-methylbenzene
CID 66251808
4-Bromo-2',4'-dichlorobiphenyl
CID 83666993
(Z)-1-bromo-2-(2-bromostyryl)-4-chlorobenzene
CID 86677619
1-bromo-2-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-4-chlorobenzene
CID 89425176

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene?
The IUPAC name of 1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene (CID 160590050) is 1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene.
What is the SMILES notation for 1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene?
The canonical SMILES for 1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene is C=Cc1c(Cl)cccc1Cl.C=Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene?
The InChIKey is RCWWKFLBBIDGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br.C8H6Cl2/c1-2-7-5-3-4-6-8(7)9;1-2-6-7(9)4-3-5-8(6)10/h2-6H,1H2;2-5H,1H2.
What are the key properties of 1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene?
1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene has a molecular weight of 356.09 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethenylbenzene;1,3-dichloro-2-ethenylbenzene is sourced from PubChem (CID 160590050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).