1-nitro-3-(trideuteriomethoxy)benzene

C7H7NO3 — CID 71551223

IUPAC1-nitro-3-(trideuteriomethoxy)benzene
SMILES[2H]C([2H])([2H])Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3/i1D3
InChIKeyWGYFINWERLNPHR-FIBGUPNXSA-N
MW156.16 g/mol
LogP1.60
Rot. Bonds3

About 1-nitro-3-(trideuteriomethoxy)benzene

1-nitro-3-(trideuteriomethoxy)benzene (PubChem CID 71551223) has the molecular formula C7H7NO3 and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-nitro-3-(trideuteriomethoxy)benzene.

Molecular Properties

Compound Name1-nitro-3-(trideuteriomethoxy)benzene
PubChem CID71551223
Molecular FormulaC7H7NO3
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name1-nitro-3-(trideuteriomethoxy)benzene
SMILES[2H]C([2H])([2H])Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3/i1D3
InChIKeyWGYFINWERLNPHR-FIBGUPNXSA-N
XLogP1.60
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-3-nitrobenzene;sulfuryl dichloride
CID 87396674
1,3-dinitrobenzene;3-methoxyphenol
CID 174564755
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
bis(1-nitro-3-[(3-nitrophenoxy)methoxy]benzene);dihydrochloride
CID 173396711
CID 162317820
CID 162317820
4-(3-nitrophenoxy)pentan-2-one
CID 64698549
CID 174652419
CID 174652419
1-methyl-4-(3-nitrophenoxy)pyridin-1-ium
CID 10247796
1-[3,3,4,4,5,5-hexafluoro-2-(3-nitrophenoxy)cyclopenten-1-yl]oxy-3-nitrobenzene
CID 14618051
ethene;1-methoxy-3-nitrobenzene;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
CID 174418478
(2S)-2-(3-nitrophenoxy)propanamide
CID 7865254

Frequently Asked Questions

What is the IUPAC name of 1-nitro-3-(trideuteriomethoxy)benzene?
The IUPAC name of 1-nitro-3-(trideuteriomethoxy)benzene (CID 71551223) is 1-nitro-3-(trideuteriomethoxy)benzene.
What is the SMILES notation for 1-nitro-3-(trideuteriomethoxy)benzene?
The canonical SMILES for 1-nitro-3-(trideuteriomethoxy)benzene is [2H]C([2H])([2H])Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-nitro-3-(trideuteriomethoxy)benzene?
The InChIKey is WGYFINWERLNPHR-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3/i1D3.
What are the key properties of 1-nitro-3-(trideuteriomethoxy)benzene?
1-nitro-3-(trideuteriomethoxy)benzene has a molecular weight of 156.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-3-(trideuteriomethoxy)benzene is sourced from PubChem (CID 71551223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).