1,2-dimethoxybenzene;molecular nitrogen;hydrochloride

C8H11ClN2O2 — CID 173306958

IUPAC1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
SMILESCOc1ccccc1OC.Cl.N#N
InChIInChI=1S/C8H10O2.ClH.N2/c1-9-7-5-3-4-6-8(7)10-2;;1-2/h3-6H,1-2H3;1H;
InChIKeyCGYMXQUHFFTRDJ-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.16
Rot. Bonds2

About 1,2-dimethoxybenzene;molecular nitrogen;hydrochloride

1,2-dimethoxybenzene;molecular nitrogen;hydrochloride (PubChem CID 173306958) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 1,2-dimethoxybenzene;molecular nitrogen;hydrochloride.

Molecular Properties

Compound Name1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
PubChem CID173306958
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
SMILESCOc1ccccc1OC.Cl.N#N
InChIInChI=1S/C8H10O2.ClH.N2/c1-9-7-5-3-4-6-8(7)10-2;;1-2/h3-6H,1-2H3;1H;
InChIKeyCGYMXQUHFFTRDJ-UHFFFAOYSA-N
XLogP2.16
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
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1-methoxy-2-methyliodanuidyloxybenzene
CID 163592566
bis(cyclopenta-1,3-diene);1,2-dimethoxybenzene
CID 170157168
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CID 161059546
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
1,2-dimethoxybenzene;propanal
CID 174258099
methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
CID 155598920
1-(chloromethoxy)-2-methoxybenzene
CID 12696124

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxybenzene;molecular nitrogen;hydrochloride?
The IUPAC name of 1,2-dimethoxybenzene;molecular nitrogen;hydrochloride (CID 173306958) is 1,2-dimethoxybenzene;molecular nitrogen;hydrochloride.
What is the SMILES notation for 1,2-dimethoxybenzene;molecular nitrogen;hydrochloride?
The canonical SMILES for 1,2-dimethoxybenzene;molecular nitrogen;hydrochloride is COc1ccccc1OC.Cl.N#N.
What is the InChIKey of 1,2-dimethoxybenzene;molecular nitrogen;hydrochloride?
The InChIKey is CGYMXQUHFFTRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.ClH.N2/c1-9-7-5-3-4-6-8(7)10-2;;1-2/h3-6H,1-2H3;1H;.
What are the key properties of 1,2-dimethoxybenzene;molecular nitrogen;hydrochloride?
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxybenzene;molecular nitrogen;hydrochloride is sourced from PubChem (CID 173306958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).