2-bromo-3-fluoro-6-methylbenzoyl chloride

C8H5BrClFO — CID 171033248

IUPAC2-bromo-3-fluoro-6-methylbenzoyl chloride
SMILESCc1ccc(F)c(Br)c1C(=O)Cl
InChIInChI=1S/C8H5BrClFO/c1-4-2-3-5(11)7(9)6(4)8(10)12/h2-3H,1H3
InChIKeyCIOGWOVOTVAYCT-UHFFFAOYSA-N
MW251.48 g/mol
LogP3.28
Rot. Bonds1

About 2-bromo-3-fluoro-6-methylbenzoyl chloride

2-bromo-3-fluoro-6-methylbenzoyl chloride (PubChem CID 171033248) has the molecular formula C8H5BrClFO and a molecular weight of 251.48 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-methylbenzoyl chloride.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-methylbenzoyl chloride
PubChem CID171033248
Molecular FormulaC8H5BrClFO
Molecular Weight251.48 g/mol
Exact Mass249.92
IUPAC Name2-bromo-3-fluoro-6-methylbenzoyl chloride
SMILESCc1ccc(F)c(Br)c1C(=O)Cl
InChIInChI=1S/C8H5BrClFO/c1-4-2-3-5(11)7(9)6(4)8(10)12/h2-3H,1H3
InChIKeyCIOGWOVOTVAYCT-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

2,3,6-trimethylbenzoyl chloride
CID 20662008
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
2-iodo-3,6-dimethylbenzoyl chloride
CID 171002077
1-(2-bromo-6-fluoro-3-methylphenyl)-2,2,2-trifluoroethanone
CID 83409968
6-bromo-2-chloro-3-fluorobenzoyl chloride
CID 129080978
2-bromo-3-fluoro-6-methylbenzenesulfonyl chloride
CID 130929622
2-bromo-6-chloro-3-fluorobenzamide
CID 131617846
methyl 2,6-dibromo-3-fluorobenzoate
CID 121228063
3-fluoro-2-hydroxy-6-methylbenzoic acid
CID 64855766
6-methyl-2,3-bis(trifluoromethyl)benzoyl chloride
CID 118849301
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-6-methylbenzoyl chloride?
The IUPAC name of 2-bromo-3-fluoro-6-methylbenzoyl chloride (CID 171033248) is 2-bromo-3-fluoro-6-methylbenzoyl chloride.
What is the SMILES notation for 2-bromo-3-fluoro-6-methylbenzoyl chloride?
The canonical SMILES for 2-bromo-3-fluoro-6-methylbenzoyl chloride is Cc1ccc(F)c(Br)c1C(=O)Cl.
What is the InChIKey of 2-bromo-3-fluoro-6-methylbenzoyl chloride?
The InChIKey is CIOGWOVOTVAYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO/c1-4-2-3-5(11)7(9)6(4)8(10)12/h2-3H,1H3.
What are the key properties of 2-bromo-3-fluoro-6-methylbenzoyl chloride?
2-bromo-3-fluoro-6-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-3-fluoro-6-methylbenzoyl chloride is sourced from PubChem (CID 171033248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).