carbonic acid;nitrobenzene

C7H7NO5 — CID 68662598

IUPACcarbonic acid;nitrobenzene
SMILESO=C(O)O.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.CH2O3/c8-7(9)6-4-2-1-3-5-6;2-1(3)4/h1-5H;(H2,2,3,4)
InChIKeyZGFNAANCITUJJM-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.82
Rot. Bonds1

About carbonic acid;nitrobenzene

carbonic acid;nitrobenzene (PubChem CID 68662598) has the molecular formula C7H7NO5 and a molecular weight of 185.14 g/mol. Its IUPAC name is carbonic acid;nitrobenzene.

Molecular Properties

Compound Namecarbonic acid;nitrobenzene
PubChem CID68662598
Molecular FormulaC7H7NO5
Molecular Weight185.14 g/mol
Exact Mass185.03
IUPAC Namecarbonic acid;nitrobenzene
SMILESO=C(O)O.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.CH2O3/c8-7(9)6-4-2-1-3-5-6;2-1(3)4/h1-5H;(H2,2,3,4)
InChIKeyZGFNAANCITUJJM-UHFFFAOYSA-N
XLogP1.82
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.82
H-Bond Donors ≤ 52
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'}

Analyze carbonic acid;nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonic acid;nitrobenzene
CID 158100196
carbonic acid;methane;nitrobenzene
CID 173344007
carbonic acid;ethane-1,2-diol;nitrobenzene
CID 175059732
carbamic acid;nitrobenzene
CID 66874578
nitrobenzene;urea
CID 22364416
nitrobenzene;sulfanol
CID 174553859
arsane;nitrobenzene
CID 174282180
benzene;iron;nitrobenzene
CID 174446919
azane;nitrobenzene
CID 23197461
azanium nitrobenzene
CID 22989049
calcium nitrobenzene
CID 67916702
magnesium;hydride;nitrobenzene
CID 173371093

Frequently Asked Questions

What is the IUPAC name of carbonic acid;nitrobenzene?
The IUPAC name of carbonic acid;nitrobenzene (CID 68662598) is carbonic acid;nitrobenzene.
What is the SMILES notation for carbonic acid;nitrobenzene?
The canonical SMILES for carbonic acid;nitrobenzene is O=C(O)O.O=[N+]([O-])c1ccccc1.
What is the InChIKey of carbonic acid;nitrobenzene?
The InChIKey is ZGFNAANCITUJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.CH2O3/c8-7(9)6-4-2-1-3-5-6;2-1(3)4/h1-5H;(H2,2,3,4).
What are the key properties of carbonic acid;nitrobenzene?
carbonic acid;nitrobenzene has a molecular weight of 185.14 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;nitrobenzene is sourced from PubChem (CID 68662598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).