1-(4-bromophenyl)cyclopropane-1-carbonyl chloride

C10H8BrClO — CID 86811283

IUPAC1-(4-bromophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C10H8BrClO/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2
InChIKeyMZSAIHZWIHBPLV-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.25
Rot. Bonds2

About 1-(4-bromophenyl)cyclopropane-1-carbonyl chloride

1-(4-bromophenyl)cyclopropane-1-carbonyl chloride (PubChem CID 86811283) has the molecular formula C10H8BrClO and a molecular weight of 259.53 g/mol. Its IUPAC name is 1-(4-bromophenyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name1-(4-bromophenyl)cyclopropane-1-carbonyl chloride
PubChem CID86811283
Molecular FormulaC10H8BrClO
Molecular Weight259.53 g/mol
Exact Mass257.94
IUPAC Name1-(4-bromophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C10H8BrClO/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2
InChIKeyMZSAIHZWIHBPLV-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of 1-(4-bromophenyl)cyclopropane-1-carbonyl chloride (CID 86811283) is 1-(4-bromophenyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 1-(4-bromophenyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for 1-(4-bromophenyl)cyclopropane-1-carbonyl chloride is O=C(Cl)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)cyclopropane-1-carbonyl chloride?
The InChIKey is MZSAIHZWIHBPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2.
What are the key properties of 1-(4-bromophenyl)cyclopropane-1-carbonyl chloride?
1-(4-bromophenyl)cyclopropane-1-carbonyl chloride has a molecular weight of 259.53 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 86811283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).