1-methoxy-3-nitrobenzene;sulfuryl dichloride

C7H7Cl2NO5S — CID 87396674

IUPAC1-methoxy-3-nitrobenzene;sulfuryl dichloride
SMILESCOc1cccc([N+](=O)[O-])c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H7NO3.Cl2O2S/c1-11-7-4-2-3-6(5-7)8(9)10;1-5(2,3)4/h2-5H,1H3;
InChIKeyJVFCHQFNQUTQOU-UHFFFAOYSA-N
MW288.11 g/mol
LogP2.31
Rot. Bonds2

About 1-methoxy-3-nitrobenzene;sulfuryl dichloride

1-methoxy-3-nitrobenzene;sulfuryl dichloride (PubChem CID 87396674) has the molecular formula C7H7Cl2NO5S and a molecular weight of 288.11 g/mol. Its IUPAC name is 1-methoxy-3-nitrobenzene;sulfuryl dichloride.

Molecular Properties

Compound Name1-methoxy-3-nitrobenzene;sulfuryl dichloride
PubChem CID87396674
Molecular FormulaC7H7Cl2NO5S
Molecular Weight288.11 g/mol
Exact Mass286.94
IUPAC Name1-methoxy-3-nitrobenzene;sulfuryl dichloride
SMILESCOc1cccc([N+](=O)[O-])c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H7NO3.Cl2O2S/c1-11-7-4-2-3-6(5-7)8(9)10;1-5(2,3)4/h2-5H,1H3;
InChIKeyJVFCHQFNQUTQOU-UHFFFAOYSA-N
XLogP2.31
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-nitrobenzene;molecular nitrogen;hydrochloride
CID 173306835
1-nitro-3-(trideuteriomethoxy)benzene
CID 71551223
1,3-dinitrobenzene;3-methoxyphenol
CID 174564755
CID 162317820
CID 162317820
methyl 3-nitrobenzoate;sulfuryl dichloride
CID 160807486
ethene;1-methoxy-3-nitrobenzene;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
CID 174418478
2-(3-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 125478687
(3-nitrophenyl) 3-bromo-5-chloro-2-methoxybenzenesulfonate
CID 31680279
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
CID 2885763
(3-nitrophenyl) 5-bromo-2-methoxybenzenesulfonate
CID 26947556
bis(1-nitro-3-[(3-nitrophenoxy)methoxy]benzene);dihydrochloride
CID 173396711
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-nitrobenzene;sulfuryl dichloride?
The IUPAC name of 1-methoxy-3-nitrobenzene;sulfuryl dichloride (CID 87396674) is 1-methoxy-3-nitrobenzene;sulfuryl dichloride.
What is the SMILES notation for 1-methoxy-3-nitrobenzene;sulfuryl dichloride?
The canonical SMILES for 1-methoxy-3-nitrobenzene;sulfuryl dichloride is COc1cccc([N+](=O)[O-])c1.O=S(=O)(Cl)Cl.
What is the InChIKey of 1-methoxy-3-nitrobenzene;sulfuryl dichloride?
The InChIKey is JVFCHQFNQUTQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.Cl2O2S/c1-11-7-4-2-3-6(5-7)8(9)10;1-5(2,3)4/h2-5H,1H3;.
What are the key properties of 1-methoxy-3-nitrobenzene;sulfuryl dichloride?
1-methoxy-3-nitrobenzene;sulfuryl dichloride has a molecular weight of 288.11 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-nitrobenzene;sulfuryl dichloride is sourced from PubChem (CID 87396674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).