2-bromo-4-fluoro-5-methylbenzoyl chloride

C8H5BrClFO — CID 171033249

IUPAC2-bromo-4-fluoro-5-methylbenzoyl chloride
SMILESCc1cc(C(=O)Cl)c(Br)cc1F
InChIInChI=1S/C8H5BrClFO/c1-4-2-5(8(10)12)6(9)3-7(4)11/h2-3H,1H3
InChIKeyGBUQPKZASAKNHG-UHFFFAOYSA-N
MW251.48 g/mol
LogP3.28
Rot. Bonds1

About 2-bromo-4-fluoro-5-methylbenzoyl chloride

2-bromo-4-fluoro-5-methylbenzoyl chloride (PubChem CID 171033249) has the molecular formula C8H5BrClFO and a molecular weight of 251.48 g/mol. Its IUPAC name is 2-bromo-4-fluoro-5-methylbenzoyl chloride.

Molecular Properties

Compound Name2-bromo-4-fluoro-5-methylbenzoyl chloride
PubChem CID171033249
Molecular FormulaC8H5BrClFO
Molecular Weight251.48 g/mol
Exact Mass249.92
IUPAC Name2-bromo-4-fluoro-5-methylbenzoyl chloride
SMILESCc1cc(C(=O)Cl)c(Br)cc1F
InChIInChI=1S/C8H5BrClFO/c1-4-2-5(8(10)12)6(9)3-7(4)11/h2-3H,1H3
InChIKeyGBUQPKZASAKNHG-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoro-5-methylbenzamide
CID 131582369
4-bromo-2-chloro-5-methylbenzoyl chloride
CID 168975431
2-chloro-4-fluoro-5-methylbenzoic acid;2-chloro-4-fluoro-5-methylbenzoyl chloride;oxalyl dichloride
CID 160658516
1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
CID 131292332
2-bromo-4-fluoro-5-methylphenol
CID 84672831
4-bromo-5-chloro-2-methylbenzoyl chloride
CID 171032784
5-bromo-2-chloro-4-fluorobenzoyl chloride
CID 89086385
(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81110078
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(3-bromo-2-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79732183
5-bromo-2-methyl-4-(trifluoromethyl)benzoyl chloride
CID 171009025
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-5-methylbenzoyl chloride?
The IUPAC name of 2-bromo-4-fluoro-5-methylbenzoyl chloride (CID 171033249) is 2-bromo-4-fluoro-5-methylbenzoyl chloride.
What is the SMILES notation for 2-bromo-4-fluoro-5-methylbenzoyl chloride?
The canonical SMILES for 2-bromo-4-fluoro-5-methylbenzoyl chloride is Cc1cc(C(=O)Cl)c(Br)cc1F.
What is the InChIKey of 2-bromo-4-fluoro-5-methylbenzoyl chloride?
The InChIKey is GBUQPKZASAKNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO/c1-4-2-5(8(10)12)6(9)3-7(4)11/h2-3H,1H3.
What are the key properties of 2-bromo-4-fluoro-5-methylbenzoyl chloride?
2-bromo-4-fluoro-5-methylbenzoyl chloride has a molecular weight of 251.48 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-5-methylbenzoyl chloride is sourced from PubChem (CID 171033249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).