1-bromo-3-cyclopropylbenzene

C9H9Br — CID 3282672

IUPAC1-bromo-3-cyclopropylbenzene
SMILESBrc1cccc(C2CC2)c1
InChIInChI=1S/C9H9Br/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyBCBNVQYWODLZSI-UHFFFAOYSA-N
MW197.08 g/mol
LogP3.33
Rot. Bonds1

About 1-bromo-3-cyclopropylbenzene

1-bromo-3-cyclopropylbenzene (PubChem CID 3282672) has the molecular formula C9H9Br and a molecular weight of 197.08 g/mol. Its IUPAC name is 1-bromo-3-cyclopropylbenzene.

Molecular Properties

Compound Name1-bromo-3-cyclopropylbenzene
PubChem CID3282672
Molecular FormulaC9H9Br
Molecular Weight197.08 g/mol
Exact Mass195.99
IUPAC Name1-bromo-3-cyclopropylbenzene
SMILESBrc1cccc(C2CC2)c1
InChIInChI=1S/C9H9Br/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeyBCBNVQYWODLZSI-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-cyclopropylbenzene?
The IUPAC name of 1-bromo-3-cyclopropylbenzene (CID 3282672) is 1-bromo-3-cyclopropylbenzene.
What is the SMILES notation for 1-bromo-3-cyclopropylbenzene?
The canonical SMILES for 1-bromo-3-cyclopropylbenzene is Brc1cccc(C2CC2)c1.
What is the InChIKey of 1-bromo-3-cyclopropylbenzene?
The InChIKey is BCBNVQYWODLZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2.
What are the key properties of 1-bromo-3-cyclopropylbenzene?
1-bromo-3-cyclopropylbenzene has a molecular weight of 197.08 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-cyclopropylbenzene is sourced from PubChem (CID 3282672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).