2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone

C16H13BrCl2O2 — CID 161063575

IUPAC2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone
SMILESCC(=O)c1ccccc1Cl.O=C(CBr)c1ccccc1Cl
InChIInChI=1S/C8H6BrClO.C8H7ClO/c9-5-8(11)6-3-1-2-4-7(6)10;1-6(10)7-4-2-3-5-8(7)9/h1-4H,5H2;2-5H,1H3
InChIKeyUDSGFYSDQWTVCN-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.46
Rot. Bonds3

About 2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone

2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone (PubChem CID 161063575) has the molecular formula C16H13BrCl2O2 and a molecular weight of 388.09 g/mol. Its IUPAC name is 2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone
PubChem CID161063575
Molecular FormulaC16H13BrCl2O2
Molecular Weight388.09 g/mol
Exact Mass385.95
IUPAC Name2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone
SMILESCC(=O)c1ccccc1Cl.O=C(CBr)c1ccccc1Cl
InChIInChI=1S/C8H6BrClO.C8H7ClO/c9-5-8(11)6-3-1-2-4-7(6)10;1-6(10)7-4-2-3-5-8(7)9/h1-4H,5H2;2-5H,1H3
InChIKeyUDSGFYSDQWTVCN-UHFFFAOYSA-N
XLogP5.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

p-Chlorophenacyl bromide
CID 68303
Ethanone, 1-(2-chlorophenyl)-
CID 72864
Methanone, (2-chlorophenyl)phenyl-
CID 78838
1,2-Ethanedione, 1,2-bis(4-chlorophenyl)-
CID 18946
1,2-Ethanedione, 1,2-bis(2-chlorophenyl)-
CID 89076
2,4'-Dichlorobenzophenone
CID 66558
trans-2-Chlorochalcone
CID 5388549
2-Bromo-3'-chloroacetophenone
CID 38738
2,5-Dichlorobenzophenone
CID 458188
(2-Chlorophenyl)(4-methylphenyl)methanone
CID 22237
2-Bromo-1-(4-chlorophenyl)propan-1-one
CID 3788219
2,4-Dichlorobenzophenone
CID 72867

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone (CID 161063575) is 2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone is CC(=O)c1ccccc1Cl.O=C(CBr)c1ccccc1Cl.
What is the InChIKey of 2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone?
The InChIKey is UDSGFYSDQWTVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO.C8H7ClO/c9-5-8(11)6-3-1-2-4-7(6)10;1-6(10)7-4-2-3-5-8(7)9/h1-4H,5H2;2-5H,1H3.
What are the key properties of 2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone?
2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone has a molecular weight of 388.09 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone is sourced from PubChem (CID 161063575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).