1,2,3-trichloro-4-methylbenzene

C7H5Cl3 — CID 23823

IUPAC1,2,3-trichloro-4-methylbenzene
SMILESCc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H5Cl3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3
InChIKeyLHOGNQZQKDZOBP-UHFFFAOYSA-N
MW195.48 g/mol
LogP3.96
Rot. Bonds

About 1,2,3-trichloro-4-methylbenzene

1,2,3-trichloro-4-methylbenzene (PubChem CID 23823) has the molecular formula C7H5Cl3 and a molecular weight of 195.48 g/mol. Its IUPAC name is 1,2,3-trichloro-4-methylbenzene.

Molecular Properties

Compound Name1,2,3-trichloro-4-methylbenzene
PubChem CID23823
Molecular FormulaC7H5Cl3
Molecular Weight195.48 g/mol
Exact Mass193.95
IUPAC Name1,2,3-trichloro-4-methylbenzene
SMILESCc1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H5Cl3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3
InChIKeyLHOGNQZQKDZOBP-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2',3,3',4-Pentachlorobiphenyl
CID 40470
Pcb 126
CID 63090
2,4-Dichlorotoluene
CID 7254
Pcb 128
CID 38018
2,3',4,4',5-Pentachlorobiphenyl
CID 35823
Pcb 105
CID 36188
2,3,3',4,4',5-Hexachlorobiphenyl
CID 38019
Pcb 114
CID 53036
2,3',4,4',5,5'-Hexachlorobiphenyl
CID 40479
3,3',4,4',5,5'-Hexachlorobiphenyl
CID 36231
Pcb 138
CID 37035
Pcb 101
CID 37807

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-4-methylbenzene?
The IUPAC name of 1,2,3-trichloro-4-methylbenzene (CID 23823) is 1,2,3-trichloro-4-methylbenzene.
What is the SMILES notation for 1,2,3-trichloro-4-methylbenzene?
The canonical SMILES for 1,2,3-trichloro-4-methylbenzene is Cc1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 1,2,3-trichloro-4-methylbenzene?
The InChIKey is LHOGNQZQKDZOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3.
What are the key properties of 1,2,3-trichloro-4-methylbenzene?
1,2,3-trichloro-4-methylbenzene has a molecular weight of 195.48 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-4-methylbenzene is sourced from PubChem (CID 23823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).