1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride

C8H8Cl6 — CID 172812732

IUPAC1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride
SMILESCc1c(C)c(Cl)c(Cl)c(Cl)c1Cl.Cl.Cl
InChIInChI=1S/C8H6Cl4.2ClH/c1-3-4(2)6(10)8(12)7(11)5(3)9;;/h1-2H3;2*1H
InChIKeySKCFUVPCNVQCDU-UHFFFAOYSA-N
MW316.87 g/mol
LogP5.76
Rot. Bonds

About 1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride

1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride (PubChem CID 172812732) has the molecular formula C8H8Cl6 and a molecular weight of 316.87 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride
PubChem CID172812732
Molecular FormulaC8H8Cl6
Molecular Weight316.87 g/mol
Exact Mass313.88
IUPAC Name1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride
SMILESCc1c(C)c(Cl)c(Cl)c(Cl)c1Cl.Cl.Cl
InChIInChI=1S/C8H6Cl4.2ClH/c1-3-4(2)6(10)8(12)7(11)5(3)9;;/h1-2H3;2*1H
InChIKeySKCFUVPCNVQCDU-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.87
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-trichloro-4-(chloromethyl)-5,6-dimethylbenzene
CID 164664880
1-bromo-3,4-dichloro-2,5,6-trimethylbenzene
CID 13202029
1,2-dibromo-4,5-dichloro-3,6-dimethylbenzene
CID 3631184
1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
CID 54008423
CID 154243878
CID 154243878
1,2,3,4-tetrachloro-5-(1-chloroethenyl)-6-methylbenzene
CID 139798937
bis(1,2,3,4,5,6-hexachlorobenzene);hydrate
CID 174447224
1,2,3,4,5,6-hexachlorobenzene;λ2-plumbane
CID 174727181
trichloro-[(2,3,4,5-tetrachloro-6-methylphenyl)methyl]silane
CID 87841973
3,4,5,6,7,8-hexachloro-2-methylnaphthalene-1-carboxylic acid
CID 57039695
1-chloro-4-[1-chloro-1-(2,3,4,5,6-pentamethylphenyl)ethyl]-2,3,5,6-tetramethylbenzene
CID 135251989
(2-chloro-3,4,5,6-tetramethylphenyl)boronic acid
CID 174081656

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride?
The IUPAC name of 1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride (CID 172812732) is 1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride.
What is the SMILES notation for 1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride?
The canonical SMILES for 1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride is Cc1c(C)c(Cl)c(Cl)c(Cl)c1Cl.Cl.Cl.
What is the InChIKey of 1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride?
The InChIKey is SKCFUVPCNVQCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4.2ClH/c1-3-4(2)6(10)8(12)7(11)5(3)9;;/h1-2H3;2*1H.
What are the key properties of 1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride?
1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride has a molecular weight of 316.87 g/mol, XLogP of 5.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride is sourced from PubChem (CID 172812732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).