3-bromobenzaldehyde;hydrobromide

C7H6Br2O — CID 87841856

IUPAC3-bromobenzaldehyde;hydrobromide
SMILESBr.O=Cc1cccc(Br)c1
InChIInChI=1S/C7H5BrO.BrH/c8-7-3-1-2-6(4-7)5-9;/h1-5H;1H
InChIKeyFURFVPBUGLPPFW-UHFFFAOYSA-N
MW265.93 g/mol
LogP2.84
Rot. Bonds1

About 3-bromobenzaldehyde;hydrobromide

3-bromobenzaldehyde;hydrobromide (PubChem CID 87841856) has the molecular formula C7H6Br2O and a molecular weight of 265.93 g/mol. Its IUPAC name is 3-bromobenzaldehyde;hydrobromide.

Molecular Properties

Compound Name3-bromobenzaldehyde;hydrobromide
PubChem CID87841856
Molecular FormulaC7H6Br2O
Molecular Weight265.93 g/mol
Exact Mass263.88
IUPAC Name3-bromobenzaldehyde;hydrobromide
SMILESBr.O=Cc1cccc(Br)c1
InChIInChI=1S/C7H5BrO.BrH/c8-7-3-1-2-6(4-7)5-9;/h1-5H;1H
InChIKeyFURFVPBUGLPPFW-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.93
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromobenzaldehyde;ethane
CID 91121301
3-bromobenzaldehyde;carbon monoxide;chromium
CID 11001767
1-bromo-3-[(Z)-2-(3-bromophenyl)ethenyl]benzene
CID 15605739
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
3-(4-bromophenoxy)benzaldehyde
CID 12874363
benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
CID 134861589
CID 134861589
1-bromo-3-(2,2-difluoroethenyl)benzene
CID 11356427
3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303

Frequently Asked Questions

What is the IUPAC name of 3-bromobenzaldehyde;hydrobromide?
The IUPAC name of 3-bromobenzaldehyde;hydrobromide (CID 87841856) is 3-bromobenzaldehyde;hydrobromide.
What is the SMILES notation for 3-bromobenzaldehyde;hydrobromide?
The canonical SMILES for 3-bromobenzaldehyde;hydrobromide is Br.O=Cc1cccc(Br)c1.
What is the InChIKey of 3-bromobenzaldehyde;hydrobromide?
The InChIKey is FURFVPBUGLPPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO.BrH/c8-7-3-1-2-6(4-7)5-9;/h1-5H;1H.
What are the key properties of 3-bromobenzaldehyde;hydrobromide?
3-bromobenzaldehyde;hydrobromide has a molecular weight of 265.93 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobenzaldehyde;hydrobromide is sourced from PubChem (CID 87841856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).