sodium (4-nitrophenyl) carbonate

C7H4NNaO5 — CID 172808838

IUPACsodium (4-nitrophenyl) carbonate
SMILESO=C([O-])Oc1ccc([N+](=O)[O-])cc1.[Na+]
InChIInChI=1S/C7H5NO5.Na/c9-7(10)13-6-3-1-5(2-4-6)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1
InChIKeyRWSBEQZONHJIIK-UHFFFAOYSA-M
MW205.10 g/mol
LogP-2.68
Rot. Bonds2

About sodium (4-nitrophenyl) carbonate

sodium (4-nitrophenyl) carbonate (PubChem CID 172808838) has the molecular formula C7H4NNaO5 and a molecular weight of 205.10 g/mol. Its IUPAC name is sodium (4-nitrophenyl) carbonate.

Molecular Properties

Compound Namesodium (4-nitrophenyl) carbonate
PubChem CID172808838
Molecular FormulaC7H4NNaO5
Molecular Weight205.10 g/mol
Exact Mass205.00
IUPAC Namesodium (4-nitrophenyl) carbonate
SMILESO=C([O-])Oc1ccc([N+](=O)[O-])cc1.[Na+]
InChIInChI=1S/C7H5NO5.Na/c9-7(10)13-6-3-1-5(2-4-6)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1
InChIKeyRWSBEQZONHJIIK-UHFFFAOYSA-M
XLogP-2.68
TPSA92.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 5-2.68
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'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

sodium;hydrogen carbonate;(4-nitrophenyl) hydrogen carbonate
CID 67826864
carbonic acid;(4-nitrophenyl) carbonochloridate
CID 87131285
carbonochloridic acid;(4-nitrophenyl) carbonochloridate
CID 86696914
acetic acid;(4-nitrophenyl) hydrogen carbonate
CID 175389451
trisodium;(4-nitrophenyl) acetate;phosphate
CID 175833825
CID 174317395
CID 174317395
2,3-bis(4-nitrophenoxy)buta-1,3-diene-1,4-dione
CID 134888183
(4-nitrophenyl) (Z)-4-amino-4-oxobut-2-enoate
CID 67832238
bis(4-nitrophenyl) cubane-1,4-dicarboxylate
CID 10670458
3-(4-nitrophenoxy)-3-oxopropanoic acid
CID 14314981
(4-nitrophenyl) N-hydroxy-N-methylcarbamate
CID 23248303
bis(4-nitrophenyl) carbonate;propanedioic acid
CID 87576808

Frequently Asked Questions

What is the IUPAC name of sodium (4-nitrophenyl) carbonate?
The IUPAC name of sodium (4-nitrophenyl) carbonate (CID 172808838) is sodium (4-nitrophenyl) carbonate.
What is the SMILES notation for sodium (4-nitrophenyl) carbonate?
The canonical SMILES for sodium (4-nitrophenyl) carbonate is O=C([O-])Oc1ccc([N+](=O)[O-])cc1.[Na+].
What is the InChIKey of sodium (4-nitrophenyl) carbonate?
The InChIKey is RWSBEQZONHJIIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5NO5.Na/c9-7(10)13-6-3-1-5(2-4-6)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1.
What are the key properties of sodium (4-nitrophenyl) carbonate?
sodium (4-nitrophenyl) carbonate has a molecular weight of 205.10 g/mol, XLogP of -2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-nitrophenyl) carbonate is sourced from PubChem (CID 172808838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).