2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride

C15H14ClN3O2 — CID 14204964

IUPAC2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride
SMILESCC(C)(c1ccccc1)c1ccc([N+]#N)c([N+](=O)[O-])c1.[Cl-]
InChIInChI=1S/C15H14N3O2.ClH/c1-15(2,11-6-4-3-5-7-11)12-8-9-13(17-16)14(10-12)18(19)20;/h3-10H,1-2H3;1H/q+1;/p-1
InChIKeyDDGGTVZZCDSYFE-UHFFFAOYSA-M
MW303.75 g/mol
LogP1.41
Rot. Bonds3

About 2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride

2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride (PubChem CID 14204964) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride.

Molecular Properties

Compound Name2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride
PubChem CID14204964
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride
SMILESCC(C)(c1ccccc1)c1ccc([N+]#N)c([N+](=O)[O-])c1.[Cl-]
InChIInChI=1S/C15H14N3O2.ClH/c1-15(2,11-6-4-3-5-7-11)12-8-9-13(17-16)14(10-12)18(19)20;/h3-10H,1-2H3;1H/q+1;/p-1
InChIKeyDDGGTVZZCDSYFE-UHFFFAOYSA-M
XLogP1.41
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_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

4-(2-methylheptan-2-yl)-2-nitrobenzenediazonium
CID 19864700
4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol
CID 19356840
4-fluoro-2-nitrobenzenediazonium
CID 10352853
4-hydroxy-2-nitrobenzenediazonium
CID 56925690
4-tert-butyl-2-nitro-1-phenylbenzene
CID 12541280
[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene
CID 141047377
5-nitrobenzene-1,2,3,4-tetradiazonium;trifluoromethylbenzene;tetratetrafluoroborate
CID 157133952
dichlorozinc;hydrogen sulfate;bis(4-(N-methylanilino)-2-nitrobenzenediazonium)
CID 134930239
2-phenylpropan-2-ylbenzene
CID 13065
4-tert-butyl-2-nitrophenolate
CID 101202828
4-tert-butyl-2-nitrobenzaldehyde
CID 77174841
2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile
CID 100924076

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride?
The IUPAC name of 2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride (CID 14204964) is 2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride.
What is the SMILES notation for 2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride?
The canonical SMILES for 2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride is CC(C)(c1ccccc1)c1ccc([N+]#N)c([N+](=O)[O-])c1.[Cl-].
What is the InChIKey of 2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride?
The InChIKey is DDGGTVZZCDSYFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N3O2.ClH/c1-15(2,11-6-4-3-5-7-11)12-8-9-13(17-16)14(10-12)18(19)20;/h3-10H,1-2H3;1H/q+1;/p-1.
What are the key properties of 2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride?
2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride has a molecular weight of 303.75 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-(2-phenylpropan-2-yl)benzenediazonium chloride is sourced from PubChem (CID 14204964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).