1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene

C11H12BrCl — CID 118117376

IUPAC1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene
SMILESCC1(c2c(Cl)cccc2CBr)CC1
InChIInChI=1S/C11H12BrCl/c1-11(5-6-11)10-8(7-12)3-2-4-9(10)13/h2-4H,5-7H2,1H3
InChIKeyBJMCHBLQXFZRTJ-UHFFFAOYSA-N
MW259.57 g/mol
LogP4.29
Rot. Bonds2

About 1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene

1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene (PubChem CID 118117376) has the molecular formula C11H12BrCl and a molecular weight of 259.57 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene
PubChem CID118117376
Molecular FormulaC11H12BrCl
Molecular Weight259.57 g/mol
Exact Mass257.98
IUPAC Name1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene
SMILESCC1(c2c(Cl)cccc2CBr)CC1
InChIInChI=1S/C11H12BrCl/c1-11(5-6-11)10-8(7-12)3-2-4-9(10)13/h2-4H,5-7H2,1H3
InChIKeyBJMCHBLQXFZRTJ-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.57
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-6-chloro-N-(4,4-dimethylcyclohexyl)-N-methylaniline
CID 114067889
1-(bromomethyl)-3-chloro-2-ethylbenzene
CID 22641961
1,3-bis(bromomethyl)-2-chlorobenzene
CID 612956
1-[2-(bromomethyl)-6-chlorophenyl]-3,3-diethylpyrrolidine
CID 114067886
2-chloro-6-(1-methylcyclopropyl)phenol
CID 174458816
2-(bromomethyl)-6-chloro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114067697
1-[2-(bromomethyl)-6-chlorophenyl]-4-propan-2-ylpiperazine
CID 114067681
1-(bromomethyl)-3-chloro-2-fluorobenzene;bromozinc(1+);1-chloro-2-fluoro-3-methanidylbenzene
CID 159608290
1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine
CID 117405881
2-benzyl-1-(bromomethyl)-3-chlorobenzene
CID 154147704
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
5-(bromomethyl)-1,4-dichloronaphthalene
CID 67907571

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene?
The IUPAC name of 1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene (CID 118117376) is 1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene.
What is the SMILES notation for 1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene?
The canonical SMILES for 1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene is CC1(c2c(Cl)cccc2CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene?
The InChIKey is BJMCHBLQXFZRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl/c1-11(5-6-11)10-8(7-12)3-2-4-9(10)13/h2-4H,5-7H2,1H3.
What are the key properties of 1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene?
1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene has a molecular weight of 259.57 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene is sourced from PubChem (CID 118117376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).