1-bromo-3-chloro-5-(cyclopropylmethyl)benzene

C10H10BrCl — CID 122447294

IUPAC1-bromo-3-chloro-5-(cyclopropylmethyl)benzene
SMILESClc1cc(Br)cc(CC2CC2)c1
InChIInChI=1S/C10H10BrCl/c11-9-4-8(3-7-1-2-7)5-10(12)6-9/h4-7H,1-3H2
InChIKeySPUDHHZUJAIEJH-UHFFFAOYSA-N
MW245.55 g/mol
LogP4.05
Rot. Bonds2

About 1-bromo-3-chloro-5-(cyclopropylmethyl)benzene

1-bromo-3-chloro-5-(cyclopropylmethyl)benzene (PubChem CID 122447294) has the molecular formula C10H10BrCl and a molecular weight of 245.55 g/mol. Its IUPAC name is 1-bromo-3-chloro-5-(cyclopropylmethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-chloro-5-(cyclopropylmethyl)benzene
PubChem CID122447294
Molecular FormulaC10H10BrCl
Molecular Weight245.55 g/mol
Exact Mass243.97
IUPAC Name1-bromo-3-chloro-5-(cyclopropylmethyl)benzene
SMILESClc1cc(Br)cc(CC2CC2)c1
InChIInChI=1S/C10H10BrCl/c11-9-4-8(3-7-1-2-7)5-10(12)6-9/h4-7H,1-3H2
InChIKeySPUDHHZUJAIEJH-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.55
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-chloro-5-(cyclopropylmethyl)benzene?
The IUPAC name of 1-bromo-3-chloro-5-(cyclopropylmethyl)benzene (CID 122447294) is 1-bromo-3-chloro-5-(cyclopropylmethyl)benzene.
What is the SMILES notation for 1-bromo-3-chloro-5-(cyclopropylmethyl)benzene?
The canonical SMILES for 1-bromo-3-chloro-5-(cyclopropylmethyl)benzene is Clc1cc(Br)cc(CC2CC2)c1.
What is the InChIKey of 1-bromo-3-chloro-5-(cyclopropylmethyl)benzene?
The InChIKey is SPUDHHZUJAIEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl/c11-9-4-8(3-7-1-2-7)5-10(12)6-9/h4-7H,1-3H2.
What are the key properties of 1-bromo-3-chloro-5-(cyclopropylmethyl)benzene?
1-bromo-3-chloro-5-(cyclopropylmethyl)benzene has a molecular weight of 245.55 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-5-(cyclopropylmethyl)benzene is sourced from PubChem (CID 122447294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).