2-bromo-2-(4-chlorophenyl)acetaldehyde

C8H6BrClO — CID 54154255

IUPAC2-bromo-2-(4-chlorophenyl)acetaldehyde
SMILESO=CC(Br)c1ccc(Cl)cc1
InChIInChI=1S/C8H6BrClO/c9-8(5-11)6-1-3-7(10)4-2-6/h1-5,8H
InChIKeyOJXHTHHWYWRCPN-UHFFFAOYSA-N
MW233.49 g/mol
LogP2.97
Rot. Bonds2

About 2-bromo-2-(4-chlorophenyl)acetaldehyde

2-bromo-2-(4-chlorophenyl)acetaldehyde (PubChem CID 54154255) has the molecular formula C8H6BrClO and a molecular weight of 233.49 g/mol. Its IUPAC name is 2-bromo-2-(4-chlorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-bromo-2-(4-chlorophenyl)acetaldehyde
PubChem CID54154255
Molecular FormulaC8H6BrClO
Molecular Weight233.49 g/mol
Exact Mass231.93
IUPAC Name2-bromo-2-(4-chlorophenyl)acetaldehyde
SMILESO=CC(Br)c1ccc(Cl)cc1
InChIInChI=1S/C8H6BrClO/c9-8(5-11)6-1-3-7(10)4-2-6/h1-5,8H
InChIKeyOJXHTHHWYWRCPN-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(dibromomethyl)benzene
CID 3017302
2-bromo-2-pyridin-4-ylacetaldehyde;hydrobromide
CID 53406533
1,4-dichlorobenzene;formyl chloride
CID 174264230
methyl 2-(4-chlorophenyl)-3-oxopropanoate
CID 54175582
2-bromo-2-[1-(4-chlorophenyl)cyclopentyl]acetaldehyde
CID 87523135
[bromo-(4-chlorophenyl)methyl]phosphonic acid
CID 19909702
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
2-(4-chlorophenyl)-2-cyclopentylacetaldehyde
CID 102576146
(1S,5S)-1,5-dibromo-1,5-bis(4-chlorophenyl)pentan-3-one
CID 174623218
(Z,4S)-4-(4-chlorophenyl)-4-hydroxybut-2-enoic acid
CID 6914274
4-bromo-4-(4-chlorophenyl)butan-2-one
CID 69177509

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-chlorophenyl)acetaldehyde?
The IUPAC name of 2-bromo-2-(4-chlorophenyl)acetaldehyde (CID 54154255) is 2-bromo-2-(4-chlorophenyl)acetaldehyde.
What is the SMILES notation for 2-bromo-2-(4-chlorophenyl)acetaldehyde?
The canonical SMILES for 2-bromo-2-(4-chlorophenyl)acetaldehyde is O=CC(Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-2-(4-chlorophenyl)acetaldehyde?
The InChIKey is OJXHTHHWYWRCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO/c9-8(5-11)6-1-3-7(10)4-2-6/h1-5,8H.
What are the key properties of 2-bromo-2-(4-chlorophenyl)acetaldehyde?
2-bromo-2-(4-chlorophenyl)acetaldehyde has a molecular weight of 233.49 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-chlorophenyl)acetaldehyde is sourced from PubChem (CID 54154255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).