[(1S,2R)-2-bromocyclopropyl]benzene

C9H9Br — CID 10943437

IUPAC[(1S,2R)-2-bromocyclopropyl]benzene
SMILESBr[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H9Br/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1
InChIKeyIITYLOQJUHFLPM-DTWKUNHWSA-N
MW197.08 g/mol
LogP2.94
Rot. Bonds1

About [(1S,2R)-2-bromocyclopropyl]benzene

[(1S,2R)-2-bromocyclopropyl]benzene (PubChem CID 10943437) has the molecular formula C9H9Br and a molecular weight of 197.08 g/mol. Its IUPAC name is [(1S,2R)-2-bromocyclopropyl]benzene.

Molecular Properties

Compound Name[(1S,2R)-2-bromocyclopropyl]benzene
PubChem CID10943437
Molecular FormulaC9H9Br
Molecular Weight197.08 g/mol
Exact Mass195.99
IUPAC Name[(1S,2R)-2-bromocyclopropyl]benzene
SMILESBr[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H9Br/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1
InChIKeyIITYLOQJUHFLPM-DTWKUNHWSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.08
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-bromocyclopropyl]benzene?
The IUPAC name of [(1S,2R)-2-bromocyclopropyl]benzene (CID 10943437) is [(1S,2R)-2-bromocyclopropyl]benzene.
What is the SMILES notation for [(1S,2R)-2-bromocyclopropyl]benzene?
The canonical SMILES for [(1S,2R)-2-bromocyclopropyl]benzene is Br[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of [(1S,2R)-2-bromocyclopropyl]benzene?
The InChIKey is IITYLOQJUHFLPM-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H9Br/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1.
What are the key properties of [(1S,2R)-2-bromocyclopropyl]benzene?
[(1S,2R)-2-bromocyclopropyl]benzene has a molecular weight of 197.08 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-bromocyclopropyl]benzene is sourced from PubChem (CID 10943437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).