1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene

C8H7Br2Cl — CID 131612949

IUPAC1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene
SMILESCc1ccc(Br)c(CBr)c1Cl
InChIInChI=1S/C8H7Br2Cl/c1-5-2-3-7(10)6(4-9)8(5)11/h2-3H,4H2,1H3
InChIKeyDLFIUOXRZLKPMH-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.31
Rot. Bonds1

About 1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene

1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene (PubChem CID 131612949) has the molecular formula C8H7Br2Cl and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene
PubChem CID131612949
Molecular FormulaC8H7Br2Cl
Molecular Weight298.41 g/mol
Exact Mass295.86
IUPAC Name1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene
SMILESCc1ccc(Br)c(CBr)c1Cl
InChIInChI=1S/C8H7Br2Cl/c1-5-2-3-7(10)6(4-9)8(5)11/h2-3H,4H2,1H3
InChIKeyDLFIUOXRZLKPMH-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.31
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

1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene
CID 131574460
1-bromo-3-(bromomethyl)-2,4-dimethylbenzene
CID 131618742
2-bromo-1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 171032827
1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 131313188
1-bromo-2-ethyl-3,4-dimethylbenzene
CID 141218396
1,2-dibromo-3-(chloromethyl)-4-methylbenzene
CID 171002958
4-bromo-2-(bromomethyl)-3-chlorobenzonitrile
CID 70090171
1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene
CID 11740051
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719
3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene
CID 130056287
2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
CID 131575794
1,4-dibromo-2-chloro-3-methylbenzene
CID 44891208

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene?
The IUPAC name of 1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene (CID 131612949) is 1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene?
The canonical SMILES for 1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene is Cc1ccc(Br)c(CBr)c1Cl.
What is the InChIKey of 1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene?
The InChIKey is DLFIUOXRZLKPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2Cl/c1-5-2-3-7(10)6(4-9)8(5)11/h2-3H,4H2,1H3.
What are the key properties of 1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene?
1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene has a molecular weight of 298.41 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene is sourced from PubChem (CID 131612949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).