1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene

C13H8Cl4 — CID 134619644

IUPAC1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene
SMILESClCc1cccc(-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C13H8Cl4/c14-7-9-2-1-3-10(13(9)17)8-4-5-11(15)12(16)6-8/h1-6H,7H2
InChIKeyHNERFHPLMWWQQF-UHFFFAOYSA-N
MW306.02 g/mol
LogP6.05
Rot. Bonds2

About 1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene

1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene (PubChem CID 134619644) has the molecular formula C13H8Cl4 and a molecular weight of 306.02 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene
PubChem CID134619644
Molecular FormulaC13H8Cl4
Molecular Weight306.02 g/mol
Exact Mass303.94
IUPAC Name1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene
SMILESClCc1cccc(-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C13H8Cl4/c14-7-9-2-1-3-10(13(9)17)8-4-5-11(15)12(16)6-8/h1-6H,7H2
InChIKeyHNERFHPLMWWQQF-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.02
LogP ≤ 56.05
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

1,2-dichloro-4-(2-ethylphenyl)benzene
CID 67818201
[2-(3,4-dichlorophenyl)-6-fluorophenyl]methanol
CID 118813063
1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625952
2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine
CID 101434001
1,2,3-trichloro-4-[3-(chloromethyl)-2-fluorophenyl]benzene
CID 134622332
1,2,3,4,5-pentachloro-6-[3-(chloromethyl)-2-fluorophenyl]benzene
CID 134622331
3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine
CID 133091044
[5-chloro-2-(3,4-dichlorophenyl)phenyl]methanol
CID 71251754
5-(chloromethyl)-4-(3,4-dichlorophenyl)-1,3-thiazole
CID 28710076
[3-(2,3-dichlorophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867880
2-(3,4-dichlorophenyl)-6-fluorobenzoyl chloride
CID 134623207
5-(chloromethyl)-4-(2,3-dichlorophenyl)pyrimidine
CID 130088704

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene?
The IUPAC name of 1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene (CID 134619644) is 1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene is ClCc1cccc(-c2ccc(Cl)c(Cl)c2)c1Cl.
What is the InChIKey of 1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene?
The InChIKey is HNERFHPLMWWQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4/c14-7-9-2-1-3-10(13(9)17)8-4-5-11(15)12(16)6-8/h1-6H,7H2.
What are the key properties of 1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene?
1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene has a molecular weight of 306.02 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene is sourced from PubChem (CID 134619644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).