2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone

C9H7Br2ClO — CID 171032809

IUPAC2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone
SMILESCc1cc(Cl)c(Br)c(C(=O)CBr)c1
InChIInChI=1S/C9H7Br2ClO/c1-5-2-6(8(13)4-10)9(11)7(12)3-5/h2-3H,4H2,1H3
InChIKeyUWVWPKQTCRQSHL-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.99
Rot. Bonds2

About 2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone

2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone (PubChem CID 171032809) has the molecular formula C9H7Br2ClO and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone
PubChem CID171032809
Molecular FormulaC9H7Br2ClO
Molecular Weight326.42 g/mol
Exact Mass323.86
IUPAC Name2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone
SMILESCc1cc(Cl)c(Br)c(C(=O)CBr)c1
InChIInChI=1S/C9H7Br2ClO/c1-5-2-6(8(13)4-10)9(11)7(12)3-5/h2-3H,4H2,1H3
InChIKeyUWVWPKQTCRQSHL-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.99
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-(3-amino-2-chloro-5-methylphenyl)-2-bromoethanone
CID 171022435
2-chloro-1-(2,5-dibromo-3-chlorophenyl)ethanone
CID 171009449
2-bromo-1-(2-bromo-5-methylphenyl)ethanone
CID 81117333
2-bromo-1-(2,3-difluoro-5-methylphenyl)ethanone
CID 118838056
2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82630845
2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone
CID 171004805
2-bromo-1-(5-chloro-4-iodo-2-methylphenyl)ethanone
CID 171004733
2-(2-bromoacetyl)-4,6-dimethylbenzonitrile
CID 171015930
ethyl 2,5-dibromo-3-chlorobenzoate
CID 114374037
2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone
CID 171008499
2-bromo-1-[2-chloro-5-[(dimethylamino)methyl]phenyl]ethanone
CID 122480246
ethyl 2-(bromomethyl)-3-chloro-5-methylbenzoate
CID 156791237

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone (CID 171032809) is 2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone is Cc1cc(Cl)c(Br)c(C(=O)CBr)c1.
What is the InChIKey of 2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone?
The InChIKey is UWVWPKQTCRQSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2ClO/c1-5-2-6(8(13)4-10)9(11)7(12)3-5/h2-3H,4H2,1H3.
What are the key properties of 2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone?
2-bromo-1-(2-bromo-3-chloro-5-methylphenyl)ethanone has a molecular weight of 326.42 g/mol, XLogP of 3.99, 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-bromo-3-chloro-5-methylphenyl)ethanone is sourced from PubChem (CID 171032809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).