1-bromo-4-ethenylbenzene;formic acid

C9H9BrO2 — CID 175935550

IUPAC1-bromo-4-ethenylbenzene;formic acid
SMILESC=Cc1ccc(Br)cc1.O=CO
InChIInChI=1S/C8H7Br.CH2O2/c1-2-7-3-5-8(9)6-4-7;2-1-3/h2-6H,1H2;1H,(H,2,3)
InChIKeyRGGAAMXWEUTOSB-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.79
Rot. Bonds1

About 1-bromo-4-ethenylbenzene;formic acid

1-bromo-4-ethenylbenzene;formic acid (PubChem CID 175935550) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 1-bromo-4-ethenylbenzene;formic acid.

Molecular Properties

Compound Name1-bromo-4-ethenylbenzene;formic acid
PubChem CID175935550
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name1-bromo-4-ethenylbenzene;formic acid
SMILESC=Cc1ccc(Br)cc1.O=CO
InChIInChI=1S/C8H7Br.CH2O2/c1-2-7-3-5-8(9)6-4-7;2-1-3/h2-6H,1H2;1H,(H,2,3)
InChIKeyRGGAAMXWEUTOSB-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-ethenylbenzene;ethane
CID 144688744
(4-bromophenyl) 4-ethenylbenzoate
CID 102322748
bis(4-bromobenzaldehyde);hydrate
CID 174866505
1,4-bis(ethenyl)benzene;urea
CID 18766675
1-bromo-4-ethenylbenzene;dibenzothiophene;sulfuric acid
CID 175532273
ethane;4-ethenylbenzaldehyde;methanol
CID 145257889
1-bromo-4-ethenylbenzene;prop-2-enylbenzene
CID 162084429
(1S)-1-(4-bromophenyl)prop-2-en-1-ol
CID 25140431
4-bromobenzaldehyde;nitrous acid
CID 175266489
dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide
CID 160591492
(E)-3-(4-bromophenyl)-1-[4-(4-ethenylbenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 122434932
3-(4-bromophenyl)-2-methylprop-2-enal
CID 71356769

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethenylbenzene;formic acid?
The IUPAC name of 1-bromo-4-ethenylbenzene;formic acid (CID 175935550) is 1-bromo-4-ethenylbenzene;formic acid.
What is the SMILES notation for 1-bromo-4-ethenylbenzene;formic acid?
The canonical SMILES for 1-bromo-4-ethenylbenzene;formic acid is C=Cc1ccc(Br)cc1.O=CO.
What is the InChIKey of 1-bromo-4-ethenylbenzene;formic acid?
The InChIKey is RGGAAMXWEUTOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br.CH2O2/c1-2-7-3-5-8(9)6-4-7;2-1-3/h2-6H,1H2;1H,(H,2,3).
What are the key properties of 1-bromo-4-ethenylbenzene;formic acid?
1-bromo-4-ethenylbenzene;formic acid has a molecular weight of 229.07 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethenylbenzene;formic acid is sourced from PubChem (CID 175935550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).