1,2-dichloro-4-(2-chlorononyl)benzene

C15H21Cl3 — CID 55223341

IUPAC1,2-dichloro-4-(2-chlorononyl)benzene
SMILESCCCCCCCC(Cl)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl3/c1-2-3-4-5-6-7-13(16)10-12-8-9-14(17)15(18)11-12/h8-9,11,13H,2-7,10H2,1H3
InChIKeyFTRCMPXYXGPVJL-UHFFFAOYSA-N
MW307.69 g/mol
LogP6.50
Rot. Bonds8

About 1,2-dichloro-4-(2-chlorononyl)benzene

1,2-dichloro-4-(2-chlorononyl)benzene (PubChem CID 55223341) has the molecular formula C15H21Cl3 and a molecular weight of 307.69 g/mol. Its IUPAC name is 1,2-dichloro-4-(2-chlorononyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2-chlorononyl)benzene
PubChem CID55223341
Molecular FormulaC15H21Cl3
Molecular Weight307.69 g/mol
Exact Mass306.07
IUPAC Name1,2-dichloro-4-(2-chlorononyl)benzene
SMILESCCCCCCCC(Cl)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl3/c1-2-3-4-5-6-7-13(16)10-12-8-9-14(17)15(18)11-12/h8-9,11,13H,2-7,10H2,1H3
InChIKeyFTRCMPXYXGPVJL-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.69
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-chloro-3-(2-chloroheptyl)benzene
CID 63544270
1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
CID 105210910
1-(2-chlorodecyl)-4-fluorobenzene
CID 65428544
1,2-dichloro-4-(2-chloro-4-ethoxybutyl)benzene
CID 63047371
1,2-dichloro-4-(4-chloroheptyl)benzene
CID 64516622
1-(2-chlorooctyl)-4-methoxybenzene
CID 114753869
1,5-bis(3,4-dichlorophenyl)-3-hexyliminopentan-2-amine
CID 87925102
1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene
CID 66034318
2-[(3,4-dichlorophenyl)methyl]pentan-1-ol
CID 66060036
N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide
CID 150273254
1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
CID 63559736

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(2-chlorononyl)benzene?
The IUPAC name of 1,2-dichloro-4-(2-chlorononyl)benzene (CID 55223341) is 1,2-dichloro-4-(2-chlorononyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(2-chlorononyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(2-chlorononyl)benzene is CCCCCCCC(Cl)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(2-chlorononyl)benzene?
The InChIKey is FTRCMPXYXGPVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl3/c1-2-3-4-5-6-7-13(16)10-12-8-9-14(17)15(18)11-12/h8-9,11,13H,2-7,10H2,1H3.
What are the key properties of 1,2-dichloro-4-(2-chlorononyl)benzene?
1,2-dichloro-4-(2-chlorononyl)benzene has a molecular weight of 307.69 g/mol, XLogP of 6.50, 8 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-chlorononyl)benzene is sourced from PubChem (CID 55223341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).