3-bromo-2-(2-chloropropanoyl)benzaldehyde

C10H8BrClO2 — CID 130781799

IUPAC3-bromo-2-(2-chloropropanoyl)benzaldehyde
SMILESCC(Cl)C(=O)c1c(Br)cccc1C=O
InChIInChI=1S/C10H8BrClO2/c1-6(12)10(14)9-7(5-13)3-2-4-8(9)11/h2-6H,1H3
InChIKeyABDJWEPRLOBUOS-UHFFFAOYSA-N
MW275.53 g/mol
LogP3.07
Rot. Bonds3

About 3-bromo-2-(2-chloropropanoyl)benzaldehyde

3-bromo-2-(2-chloropropanoyl)benzaldehyde (PubChem CID 130781799) has the molecular formula C10H8BrClO2 and a molecular weight of 275.53 g/mol. Its IUPAC name is 3-bromo-2-(2-chloropropanoyl)benzaldehyde.

Molecular Properties

Compound Name3-bromo-2-(2-chloropropanoyl)benzaldehyde
PubChem CID130781799
Molecular FormulaC10H8BrClO2
Molecular Weight275.53 g/mol
Exact Mass273.94
IUPAC Name3-bromo-2-(2-chloropropanoyl)benzaldehyde
SMILESCC(Cl)C(=O)c1c(Br)cccc1C=O
InChIInChI=1S/C10H8BrClO2/c1-6(12)10(14)9-7(5-13)3-2-4-8(9)11/h2-6H,1H3
InChIKeyABDJWEPRLOBUOS-UHFFFAOYSA-N
XLogP3.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-bromo-6-formylbenzoate
CID 133059407
methyl 2-[3-bromo-2-(2-chloropropanoyl)phenyl]acetate
CID 134634871
2-chloro-1-(2,6-dihydroxyphenyl)propan-1-one
CID 130826367
2-(2-hydroxypropanoyl)-3-iodobenzaldehyde
CID 90214300
methyl 2-bromo-6-(2-chloropropanoyl)benzoate
CID 134648658
3-(2-bromo-6-formylphenoxy)butanamide
CID 123241390
1-[3-bromo-2-(difluoromethoxy)phenyl]-2-chloropropan-1-one
CID 134625182
3-bromo-2-methylbenzaldehyde;methoxymethane
CID 142299321
3-bromo-2-but-3-en-2-yloxybenzaldehyde
CID 62384153
4-(2-chloropropanoyl)-2-fluorobenzaldehyde
CID 130955426
2-[1-(2-bromophenoxy)ethyl]benzaldehyde
CID 175163460
2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide
CID 61391421

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-chloropropanoyl)benzaldehyde?
The IUPAC name of 3-bromo-2-(2-chloropropanoyl)benzaldehyde (CID 130781799) is 3-bromo-2-(2-chloropropanoyl)benzaldehyde.
What is the SMILES notation for 3-bromo-2-(2-chloropropanoyl)benzaldehyde?
The canonical SMILES for 3-bromo-2-(2-chloropropanoyl)benzaldehyde is CC(Cl)C(=O)c1c(Br)cccc1C=O.
What is the InChIKey of 3-bromo-2-(2-chloropropanoyl)benzaldehyde?
The InChIKey is ABDJWEPRLOBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO2/c1-6(12)10(14)9-7(5-13)3-2-4-8(9)11/h2-6H,1H3.
What are the key properties of 3-bromo-2-(2-chloropropanoyl)benzaldehyde?
3-bromo-2-(2-chloropropanoyl)benzaldehyde has a molecular weight of 275.53 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-chloropropanoyl)benzaldehyde is sourced from PubChem (CID 130781799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).