4-(2-bromopropan-2-yl)benzoyl chloride

C10H10BrClO — CID 141133726

IUPAC4-(2-bromopropan-2-yl)benzoyl chloride
SMILESCC(C)(Br)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C10H10BrClO/c1-10(2,11)8-5-3-7(4-6-8)9(12)13/h3-6H,1-2H3
InChIKeyBZXJGVZQVWLUHJ-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.70
Rot. Bonds2

About 4-(2-bromopropan-2-yl)benzoyl chloride

4-(2-bromopropan-2-yl)benzoyl chloride (PubChem CID 141133726) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is 4-(2-bromopropan-2-yl)benzoyl chloride.

Molecular Properties

Compound Name4-(2-bromopropan-2-yl)benzoyl chloride
PubChem CID141133726
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name4-(2-bromopropan-2-yl)benzoyl chloride
SMILESCC(C)(Br)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C10H10BrClO/c1-10(2,11)8-5-3-7(4-6-8)9(12)13/h3-6H,1-2H3
InChIKeyBZXJGVZQVWLUHJ-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopropan-2-yl)benzoyl chloride?
The IUPAC name of 4-(2-bromopropan-2-yl)benzoyl chloride (CID 141133726) is 4-(2-bromopropan-2-yl)benzoyl chloride.
What is the SMILES notation for 4-(2-bromopropan-2-yl)benzoyl chloride?
The canonical SMILES for 4-(2-bromopropan-2-yl)benzoyl chloride is CC(C)(Br)c1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-(2-bromopropan-2-yl)benzoyl chloride?
The InChIKey is BZXJGVZQVWLUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO/c1-10(2,11)8-5-3-7(4-6-8)9(12)13/h3-6H,1-2H3.
What are the key properties of 4-(2-bromopropan-2-yl)benzoyl chloride?
4-(2-bromopropan-2-yl)benzoyl chloride has a molecular weight of 261.55 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopropan-2-yl)benzoyl chloride is sourced from PubChem (CID 141133726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).