(2-nitrophenyl)-(2-nitropropan-2-yl)diazene

C9H10N4O4 — CID 15025181

IUPAC(2-nitrophenyl)-(2-nitropropan-2-yl)diazene
SMILESCC(C)(/N=N/c1ccccc1[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C9H10N4O4/c1-9(2,13(16)17)11-10-7-5-3-4-6-8(7)12(14)15/h3-6H,1-2H3/b11-10+
InChIKeyJKIGJAQPIDWYOS-ZHACJKMWSA-N
MW238.20 g/mol
LogP2.69
Rot. Bonds4

About (2-nitrophenyl)-(2-nitropropan-2-yl)diazene

(2-nitrophenyl)-(2-nitropropan-2-yl)diazene (PubChem CID 15025181) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is (2-nitrophenyl)-(2-nitropropan-2-yl)diazene.

Molecular Properties

Compound Name(2-nitrophenyl)-(2-nitropropan-2-yl)diazene
PubChem CID15025181
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name(2-nitrophenyl)-(2-nitropropan-2-yl)diazene
SMILESCC(C)(/N=N/c1ccccc1[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C9H10N4O4/c1-9(2,13(16)17)11-10-7-5-3-4-6-8(7)12(14)15/h3-6H,1-2H3/b11-10+
InChIKeyJKIGJAQPIDWYOS-ZHACJKMWSA-N
XLogP2.69
TPSA111.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

chloro-(2-nitrophenyl)diazene
CID 13403227
1-nitro-2-(2-nitropropan-2-yl)benzene
CID 87409221
[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene
CID 141047377
1-tert-butylsulfanyl-2-nitrobenzene
CID 15655967
1-tert-butyl-2-nitrobenzene;nitrous acid
CID 175422858
2-[(2-nitrophenyl)diazenyl]-6-(2,4,4-trimethylpentan-2-yl)phenol
CID 156700464
(3-chlorophenyl)-(2-nitropropan-2-yl)diazene
CID 50886805
1-[bromo(dimethoxy)methyl]-2-nitrobenzene
CID 54203856
[4-[2-[4-acetyloxy-3,5-bis[(2-nitrophenyl)diazenyl]phenyl]propan-2-yl]-2,6-bis[(2-nitrophenyl)diazenyl]phenyl] acetate
CID 165342789
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)-(2-nitropropan-2-yl)diazene?
The IUPAC name of (2-nitrophenyl)-(2-nitropropan-2-yl)diazene (CID 15025181) is (2-nitrophenyl)-(2-nitropropan-2-yl)diazene.
What is the SMILES notation for (2-nitrophenyl)-(2-nitropropan-2-yl)diazene?
The canonical SMILES for (2-nitrophenyl)-(2-nitropropan-2-yl)diazene is CC(C)(/N=N/c1ccccc1[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl)-(2-nitropropan-2-yl)diazene?
The InChIKey is JKIGJAQPIDWYOS-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H10N4O4/c1-9(2,13(16)17)11-10-7-5-3-4-6-8(7)12(14)15/h3-6H,1-2H3/b11-10+.
What are the key properties of (2-nitrophenyl)-(2-nitropropan-2-yl)diazene?
(2-nitrophenyl)-(2-nitropropan-2-yl)diazene has a molecular weight of 238.20 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)-(2-nitropropan-2-yl)diazene is sourced from PubChem (CID 15025181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).