1-(bromomethyl)-2,3-dichloro-5-methylbenzene

C8H7BrCl2 — CID 130982496

IUPAC1-(bromomethyl)-2,3-dichloro-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)c(CBr)c1
InChIInChI=1S/C8H7BrCl2/c1-5-2-6(4-9)8(11)7(10)3-5/h2-3H,4H2,1H3
InChIKeyDLFZUSZWEMGETH-UHFFFAOYSA-N
MW253.95 g/mol
LogP4.20
Rot. Bonds1

About 1-(bromomethyl)-2,3-dichloro-5-methylbenzene

1-(bromomethyl)-2,3-dichloro-5-methylbenzene (PubChem CID 130982496) has the molecular formula C8H7BrCl2 and a molecular weight of 253.95 g/mol. Its IUPAC name is 1-(bromomethyl)-2,3-dichloro-5-methylbenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2,3-dichloro-5-methylbenzene
PubChem CID130982496
Molecular FormulaC8H7BrCl2
Molecular Weight253.95 g/mol
Exact Mass251.91
IUPAC Name1-(bromomethyl)-2,3-dichloro-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)c(CBr)c1
InChIInChI=1S/C8H7BrCl2/c1-5-2-6(4-9)8(11)7(10)3-5/h2-3H,4H2,1H3
InChIKeyDLFZUSZWEMGETH-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.95
LogP ≤ 54.20
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

methyl 2-[3-(bromomethyl)-2-chloro-5-methylphenyl]acetate
CID 171013835
1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene
CID 14252257
3-(bromomethyl)-2,5-dimethylphenol
CID 130953581
1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene
CID 131074450
1-(bromomethyl)-2-chloro-5-methoxy-3-methylbenzene
CID 22965884
1-bromo-2,3-dichloro-5-(3,5-dimethylphenyl)benzene
CID 171448664
2,6-dichloro-4-methylaniline;ethane
CID 143233725
2-(bromomethyl)-1,3-diethyl-5-methylbenzene
CID 66954706
1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
CID 84669702
1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene
CID 130777933
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
2-(2-chloro-6-ethyl-4-methylphenyl)propanoic acid
CID 69441994

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2,3-dichloro-5-methylbenzene?
The IUPAC name of 1-(bromomethyl)-2,3-dichloro-5-methylbenzene (CID 130982496) is 1-(bromomethyl)-2,3-dichloro-5-methylbenzene.
What is the SMILES notation for 1-(bromomethyl)-2,3-dichloro-5-methylbenzene?
The canonical SMILES for 1-(bromomethyl)-2,3-dichloro-5-methylbenzene is Cc1cc(Cl)c(Cl)c(CBr)c1.
What is the InChIKey of 1-(bromomethyl)-2,3-dichloro-5-methylbenzene?
The InChIKey is DLFZUSZWEMGETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrCl2/c1-5-2-6(4-9)8(11)7(10)3-5/h2-3H,4H2,1H3.
What are the key properties of 1-(bromomethyl)-2,3-dichloro-5-methylbenzene?
1-(bromomethyl)-2,3-dichloro-5-methylbenzene has a molecular weight of 253.95 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2,3-dichloro-5-methylbenzene is sourced from PubChem (CID 130982496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).