2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone

C8H4Br2Cl2O — CID 155907008

IUPAC2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone
SMILESO=C(c1ccccc1Br)C(Cl)(Cl)Br
InChIInChI=1S/C8H4Br2Cl2O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4H
InChIKeyJONRWYPGCPYUNE-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.16
Rot. Bonds2

About 2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone

2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone (PubChem CID 155907008) has the molecular formula C8H4Br2Cl2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone
PubChem CID155907008
Molecular FormulaC8H4Br2Cl2O
Molecular Weight346.83 g/mol
Exact Mass343.80
IUPAC Name2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone
SMILESO=C(c1ccccc1Br)C(Cl)(Cl)Br
InChIInChI=1S/C8H4Br2Cl2O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4H
InChIKeyJONRWYPGCPYUNE-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromophenyl)-2,2,2-trichloroethanone
CID 102572456
1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone
CID 162354712
1-(2-bromophenyl)-2,2-dihydroxyethanone
CID 14046171
Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
CID 14715010
2-bromobenzoyl cyanide
CID 12969202
2-bromobenzamide;hydrochloride
CID 68911907
S-(2-bromobenzoyl)sulfanyl 2-bromobenzenecarbothioate
CID 10071435
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-(2-bromophenyl)-2-oxoacetic acid
CID 4241115
2-(2-bromophenyl)-2-oxoacetate
CID 6999378
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
1-(2-bromophenyl)-3,3-dimethylbutan-1-one
CID 71135058

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone?
The IUPAC name of 2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone (CID 155907008) is 2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone.
What is the SMILES notation for 2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone?
The canonical SMILES for 2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone is O=C(c1ccccc1Br)C(Cl)(Cl)Br.
What is the InChIKey of 2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone?
The InChIKey is JONRWYPGCPYUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2Cl2O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4H.
What are the key properties of 2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone?
2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone has a molecular weight of 346.83 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone is sourced from PubChem (CID 155907008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).