2-bromo-2-(2-methylphenyl)acetyl chloride

C9H8BrClO — CID 130740286

IUPAC2-bromo-2-(2-methylphenyl)acetyl chloride
SMILESCc1ccccc1C(Br)C(=O)Cl
InChIInChI=1S/C9H8BrClO/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,1H3
InChIKeyZHDXMGUVUGSLPV-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.20
Rot. Bonds2

About 2-bromo-2-(2-methylphenyl)acetyl chloride

2-bromo-2-(2-methylphenyl)acetyl chloride (PubChem CID 130740286) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 2-bromo-2-(2-methylphenyl)acetyl chloride.

Molecular Properties

Compound Name2-bromo-2-(2-methylphenyl)acetyl chloride
PubChem CID130740286
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name2-bromo-2-(2-methylphenyl)acetyl chloride
SMILESCc1ccccc1C(Br)C(=O)Cl
InChIInChI=1S/C9H8BrClO/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,1H3
InChIKeyZHDXMGUVUGSLPV-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-(2-methylphenyl)acetamide
CID 19981756
propyl (2S)-2-bromo-2-(2-methylphenyl)acetate
CID 101158902
benzyl (2S)-2-bromo-2-(2-methylphenyl)acetate
CID 101158906
benzyl 2-bromo-2-(2-methylphenyl)acetate
CID 23250619
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
[(S)-bromo-(2-methylphenyl)methyl] hypobromite
CID 124639484
(2S)-2-(2,3-dimethylphenyl)propanoyl chloride
CID 177150078
2-[2-(2-chloro-1-methoxy-2-oxoethyl)phenyl]-2-methoxyacetyl chloride
CID 88797101
acetic acid;(2-methylphenyl)methanediol
CID 71361235
(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628
(2R)-N-methyl-2-(2-methylphenyl)propanamide
CID 97305047
1-(1-chloro-2-methylpropyl)-2-methylbenzene
CID 67877325

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(2-methylphenyl)acetyl chloride?
The IUPAC name of 2-bromo-2-(2-methylphenyl)acetyl chloride (CID 130740286) is 2-bromo-2-(2-methylphenyl)acetyl chloride.
What is the SMILES notation for 2-bromo-2-(2-methylphenyl)acetyl chloride?
The canonical SMILES for 2-bromo-2-(2-methylphenyl)acetyl chloride is Cc1ccccc1C(Br)C(=O)Cl.
What is the InChIKey of 2-bromo-2-(2-methylphenyl)acetyl chloride?
The InChIKey is ZHDXMGUVUGSLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,1H3.
What are the key properties of 2-bromo-2-(2-methylphenyl)acetyl chloride?
2-bromo-2-(2-methylphenyl)acetyl chloride has a molecular weight of 247.52 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(2-methylphenyl)acetyl chloride is sourced from PubChem (CID 130740286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).