4-bromo-3-chloro-2-fluorobenzaldehyde

C7H3BrClFO — CID 86276518

IUPAC4-bromo-3-chloro-2-fluorobenzaldehyde
SMILESO=Cc1ccc(Br)c(Cl)c1F
InChIInChI=1S/C7H3BrClFO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-3H
InChIKeyWHSKLGAULKIGTA-UHFFFAOYSA-N
MW237.45 g/mol
LogP3.05
Rot. Bonds1

About 4-bromo-3-chloro-2-fluorobenzaldehyde

4-bromo-3-chloro-2-fluorobenzaldehyde (PubChem CID 86276518) has the molecular formula C7H3BrClFO and a molecular weight of 237.45 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-bromo-3-chloro-2-fluorobenzaldehyde
PubChem CID86276518
Molecular FormulaC7H3BrClFO
Molecular Weight237.45 g/mol
Exact Mass235.90
IUPAC Name4-bromo-3-chloro-2-fluorobenzaldehyde
SMILESO=Cc1ccc(Br)c(Cl)c1F
InChIInChI=1S/C7H3BrClFO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-3H
InChIKeyWHSKLGAULKIGTA-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-2-fluorobenzaldehyde
CID 143517
4-Bromo-2-fluorobenzoyl chloride
CID 2734026
2-Bromo-5-chlorobenzaldehyde
CID 15391279
4-Bromo-3-fluorobenzaldehyde
CID 2783411
4-Bromo-3-chlorobenzaldehyde
CID 14049806
3-Bromo-4-chlorobenzaldehyde
CID 14049809
4-Bromo-2-chlorobenzaldehyde
CID 14109109
4-Bromo-5-chloro-2-fluorobenzaldehyde
CID 84798806
3-Chloro-2,4-difluorobenzaldehyde
CID 3735177
3-Bromo-5-chlorobenzaldehyde
CID 17750952
4-Bromo-3-chlorobenzoyl chloride
CID 19754905
1-(4-Bromo-3-chlorophenyl)ethan-1-one
CID 22390459

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-2-fluorobenzaldehyde?
The IUPAC name of 4-bromo-3-chloro-2-fluorobenzaldehyde (CID 86276518) is 4-bromo-3-chloro-2-fluorobenzaldehyde.
What is the SMILES notation for 4-bromo-3-chloro-2-fluorobenzaldehyde?
The canonical SMILES for 4-bromo-3-chloro-2-fluorobenzaldehyde is O=Cc1ccc(Br)c(Cl)c1F.
What is the InChIKey of 4-bromo-3-chloro-2-fluorobenzaldehyde?
The InChIKey is WHSKLGAULKIGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClFO/c8-5-2-1-4(3-11)7(10)6(5)9/h1-3H.
What are the key properties of 4-bromo-3-chloro-2-fluorobenzaldehyde?
4-bromo-3-chloro-2-fluorobenzaldehyde has a molecular weight of 237.45 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-2-fluorobenzaldehyde is sourced from PubChem (CID 86276518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).