1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene

C8H4Br4Cl2 — CID 23347067

IUPAC1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene
SMILESClc1c(Cl)c(Br)c(CBr)c(CBr)c1Br
InChIInChI=1S/C8H4Br4Cl2/c9-1-3-4(2-10)6(12)8(14)7(13)5(3)11/h1-2H2
InChIKeySWPQDKOSMUFXLU-UHFFFAOYSA-N
MW490.64 g/mol
LogP6.31
Rot. Bonds2

About 1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene

1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene (PubChem CID 23347067) has the molecular formula C8H4Br4Cl2 and a molecular weight of 490.64 g/mol. Its IUPAC name is 1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene.

Molecular Properties

Compound Name1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene
PubChem CID23347067
Molecular FormulaC8H4Br4Cl2
Molecular Weight490.64 g/mol
Exact Mass485.64
IUPAC Name1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene
SMILESClc1c(Cl)c(Br)c(CBr)c(CBr)c1Br
InChIInChI=1S/C8H4Br4Cl2/c9-1-3-4(2-10)6(12)8(14)7(13)5(3)11/h1-2H2
InChIKeySWPQDKOSMUFXLU-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.64
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentabromo-6-(bromomethyl)benzene
CID 3015989
1-bromo-2-(bromomethyl)-3-chloro-4-fluorobenzene
CID 131574460
1-bromo-2-(bromomethyl)-3-chloro-4-methylbenzene
CID 131612949
1,2,5-tribromo-3,4-dichlorobenzene
CID 86016218
9-(bromomethyl)-10-chlorophenanthrene
CID 614395
4-bromo-2-(bromomethyl)-3-chlorobenzonitrile
CID 70090171
4,5,7-tribromo-6-(bromomethyl)-2,2-dimethyl-1,3-benzodioxole
CID 86209268
1,2-dibromo-3,4,6-trichloro-5-fluorobenzene
CID 632183
2-(bromomethyl)-1,3-dichloro-4-(methylperoxymethyl)benzene
CID 54569762
1-[2-(bromomethyl)-3-chlorophenyl]-2,3,4,5,6-pentachlorobenzene
CID 134617199
[amino-[(2,4,6-tribromo-3,5-dichlorophenyl)methylsulfanyl]methylidene]azanium bromide
CID 21407555
bis[3-bromo-4-(bromomethyl)-2-chlorophenyl]methanone
CID 139698496

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene?
The IUPAC name of 1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene (CID 23347067) is 1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene.
What is the SMILES notation for 1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene?
The canonical SMILES for 1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene is Clc1c(Cl)c(Br)c(CBr)c(CBr)c1Br.
What is the InChIKey of 1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene?
The InChIKey is SWPQDKOSMUFXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br4Cl2/c9-1-3-4(2-10)6(12)8(14)7(13)5(3)11/h1-2H2.
What are the key properties of 1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene?
1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene has a molecular weight of 490.64 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,3-bis(bromomethyl)-5,6-dichlorobenzene is sourced from PubChem (CID 23347067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).