1-chloro-2-methylbenzene;dihydrochloride

C7H9Cl3 — CID 174485339

IUPAC1-chloro-2-methylbenzene;dihydrochloride
SMILESCc1ccccc1Cl.Cl.Cl
InChIInChI=1S/C7H7Cl.2ClH/c1-6-4-2-3-5-7(6)8;;/h2-5H,1H3;2*1H
InChIKeySQJFIFZAMNQZPM-UHFFFAOYSA-N
MW199.51 g/mol
LogP3.49
Rot. Bonds

About 1-chloro-2-methylbenzene;dihydrochloride

1-chloro-2-methylbenzene;dihydrochloride (PubChem CID 174485339) has the molecular formula C7H9Cl3 and a molecular weight of 199.51 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;dihydrochloride.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;dihydrochloride
PubChem CID174485339
Molecular FormulaC7H9Cl3
Molecular Weight199.51 g/mol
Exact Mass197.98
IUPAC Name1-chloro-2-methylbenzene;dihydrochloride
SMILESCc1ccccc1Cl.Cl.Cl
InChIInChI=1S/C7H7Cl.2ClH/c1-6-4-2-3-5-7(6)8;;/h2-5H,1H3;2*1H
InChIKeySQJFIFZAMNQZPM-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 66838097
CID 66838097
1-chloro-2-methylbenzene;ethene
CID 142088810
CID 10879451
CID 10879451
1-chloro-2-methylbenzene;2-methylpropane
CID 155693193
1-chloro-2-methylbenzene isocyanate
CID 86757710
1-chloro-2-methylbenzene;1,2,3,4-tetrahydronaphthalene
CID 166790221
sodium;bis(1-chloro-2-methylbenzene);hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173452663
1,2-xylene;trihydrochloride
CID 70594732
1-chloro-2-methylbenzene;ethane;methylcyclopentane
CID 164862819
1,2-dichlorobenzene;2-methylphenol
CID 159780398
1,2-dichlorobenzene;hydrate;hydrochloride
CID 141479272
ethane;1,2-xylene;dihydrochloride
CID 174677530

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;dihydrochloride?
The IUPAC name of 1-chloro-2-methylbenzene;dihydrochloride (CID 174485339) is 1-chloro-2-methylbenzene;dihydrochloride.
What is the SMILES notation for 1-chloro-2-methylbenzene;dihydrochloride?
The canonical SMILES for 1-chloro-2-methylbenzene;dihydrochloride is Cc1ccccc1Cl.Cl.Cl.
What is the InChIKey of 1-chloro-2-methylbenzene;dihydrochloride?
The InChIKey is SQJFIFZAMNQZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.2ClH/c1-6-4-2-3-5-7(6)8;;/h2-5H,1H3;2*1H.
What are the key properties of 1-chloro-2-methylbenzene;dihydrochloride?
1-chloro-2-methylbenzene;dihydrochloride has a molecular weight of 199.51 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene;dihydrochloride is sourced from PubChem (CID 174485339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).