1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene

C10H10Br4 — CID 88614570

IUPAC1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene
SMILESCc1c(C)c(CCBr)c(Br)c(Br)c1Br
InChIInChI=1S/C10H10Br4/c1-5-6(2)8(12)10(14)9(13)7(5)3-4-11/h3-4H2,1-2H3
InChIKeyAWZSTCVWCGZEMM-UHFFFAOYSA-N
MW449.81 g/mol
LogP5.53
Rot. Bonds2

About 1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene

1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene (PubChem CID 88614570) has the molecular formula C10H10Br4 and a molecular weight of 449.81 g/mol. Its IUPAC name is 1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene.

Molecular Properties

Compound Name1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene
PubChem CID88614570
Molecular FormulaC10H10Br4
Molecular Weight449.81 g/mol
Exact Mass445.75
IUPAC Name1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene
SMILESCc1c(C)c(CCBr)c(Br)c(Br)c1Br
InChIInChI=1S/C10H10Br4/c1-5-6(2)8(12)10(14)9(13)7(5)3-4-11/h3-4H2,1-2H3
InChIKeyAWZSTCVWCGZEMM-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.81
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene?
The IUPAC name of 1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene (CID 88614570) is 1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene.
What is the SMILES notation for 1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene?
The canonical SMILES for 1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene is Cc1c(C)c(CCBr)c(Br)c(Br)c1Br.
What is the InChIKey of 1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene?
The InChIKey is AWZSTCVWCGZEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br4/c1-5-6(2)8(12)10(14)9(13)7(5)3-4-11/h3-4H2,1-2H3.
What are the key properties of 1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene?
1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene has a molecular weight of 449.81 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tribromo-4-(2-bromoethyl)-5,6-dimethylbenzene is sourced from PubChem (CID 88614570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).