1,2-xylene;trihydrochloride

C8H13Cl3 — CID 70594732

IUPAC1,2-xylene;trihydrochloride
SMILESCc1ccccc1C.Cl.Cl.Cl
InChIInChI=1S/C8H10.3ClH/c1-7-5-3-4-6-8(7)2;;;/h3-6H,1-2H3;3*1H
InChIKeyATILHNJXGPAMCS-UHFFFAOYSA-N
MW215.55 g/mol
LogP3.57
Rot. Bonds

About 1,2-xylene;trihydrochloride

1,2-xylene;trihydrochloride (PubChem CID 70594732) has the molecular formula C8H13Cl3 and a molecular weight of 215.55 g/mol. Its IUPAC name is 1,2-xylene;trihydrochloride.

Molecular Properties

Compound Name1,2-xylene;trihydrochloride
PubChem CID70594732
Molecular FormulaC8H13Cl3
Molecular Weight215.55 g/mol
Exact Mass214.01
IUPAC Name1,2-xylene;trihydrochloride
SMILESCc1ccccc1C.Cl.Cl.Cl
InChIInChI=1S/C8H10.3ClH/c1-7-5-3-4-6-8(7)2;;;/h3-6H,1-2H3;3*1H
InChIKeyATILHNJXGPAMCS-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.55
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,2-xylene;dihydrochloride
CID 174677530
1,2-xylene
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hydrazine;1,2-xylene;dihydrochloride
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benzene;1,2-xylene
CID 161464493
silver;1,2-xylene
CID 158486133
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
1,2-xylene;tetrahydrobromide
CID 172843014
azane;1,2-xylene
CID 174280305
sodium;hydride;1,2-xylene
CID 173009635
azane;1,2-xylene;hydrate
CID 158522930
ethane;methane;pentakis(1,2-xylene)
CID 158909718

Frequently Asked Questions

What is the IUPAC name of 1,2-xylene;trihydrochloride?
The IUPAC name of 1,2-xylene;trihydrochloride (CID 70594732) is 1,2-xylene;trihydrochloride.
What is the SMILES notation for 1,2-xylene;trihydrochloride?
The canonical SMILES for 1,2-xylene;trihydrochloride is Cc1ccccc1C.Cl.Cl.Cl.
What is the InChIKey of 1,2-xylene;trihydrochloride?
The InChIKey is ATILHNJXGPAMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.3ClH/c1-7-5-3-4-6-8(7)2;;;/h3-6H,1-2H3;3*1H.
What are the key properties of 1,2-xylene;trihydrochloride?
1,2-xylene;trihydrochloride has a molecular weight of 215.55 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-xylene;trihydrochloride is sourced from PubChem (CID 70594732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).