copper;2-nitro-4-propan-2-ylbenzoic acid

C10H11CuNO4 — CID 175716699

IUPACcopper;2-nitro-4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)c([N+](=O)[O-])c1.[Cu]
InChIInChI=1S/C10H11NO4.Cu/c1-6(2)7-3-4-8(10(12)13)9(5-7)11(14)15;/h3-6H,1-2H3,(H,12,13);
InChIKeyNHCHVKPUKGPYTC-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.41
Rot. Bonds3

About copper;2-nitro-4-propan-2-ylbenzoic acid

copper;2-nitro-4-propan-2-ylbenzoic acid (PubChem CID 175716699) has the molecular formula C10H11CuNO4 and a molecular weight of 272.75 g/mol. Its IUPAC name is copper;2-nitro-4-propan-2-ylbenzoic acid.

Molecular Properties

Compound Namecopper;2-nitro-4-propan-2-ylbenzoic acid
PubChem CID175716699
Molecular FormulaC10H11CuNO4
Molecular Weight272.75 g/mol
Exact Mass272.00
IUPAC Namecopper;2-nitro-4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)c([N+](=O)[O-])c1.[Cu]
InChIInChI=1S/C10H11NO4.Cu/c1-6(2)7-3-4-8(10(12)13)9(5-7)11(14)15;/h3-6H,1-2H3,(H,12,13);
InChIKeyNHCHVKPUKGPYTC-UHFFFAOYSA-N
XLogP2.41
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.41
H-Bond Donors ≤ 51
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

2-hydroxy-3-nitro-5-propan-2-ylbenzoic acid
CID 4572204
4-[(1R)-1-amino-2-hydroxyethyl]-2-nitrobenzoic acid
CID 66514959
4-(4-carboxy-3-nitrophenyl)-2-nitrobenzoic acid
CID 18966829
4-carboxy-3-nitrophenolate
CID 54708016
methyl 4-(1-hydroxyethyl)-2-nitrobenzoate
CID 59164419
methyl 4-(1-fluoroethyl)-2-nitrobenzoate
CID 59164426
4-(but-3-yn-2-ylamino)-2-nitrobenzoic acid
CID 114417613
CID 158735382
CID 158735382
hydrogen peroxide;4-methylsulfonyl-2-nitrobenzoic acid
CID 175407877
2-methyl-4-propan-2-ylbenzoic acid
CID 22444417
2-iodo-4-propan-2-ylbenzoic acid
CID 131312155
2-tert-butyl-4-propan-2-ylbenzoic acid
CID 70422407

Frequently Asked Questions

What is the IUPAC name of copper;2-nitro-4-propan-2-ylbenzoic acid?
The IUPAC name of copper;2-nitro-4-propan-2-ylbenzoic acid (CID 175716699) is copper;2-nitro-4-propan-2-ylbenzoic acid.
What is the SMILES notation for copper;2-nitro-4-propan-2-ylbenzoic acid?
The canonical SMILES for copper;2-nitro-4-propan-2-ylbenzoic acid is CC(C)c1ccc(C(=O)O)c([N+](=O)[O-])c1.[Cu].
What is the InChIKey of copper;2-nitro-4-propan-2-ylbenzoic acid?
The InChIKey is NHCHVKPUKGPYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4.Cu/c1-6(2)7-3-4-8(10(12)13)9(5-7)11(14)15;/h3-6H,1-2H3,(H,12,13);.
What are the key properties of copper;2-nitro-4-propan-2-ylbenzoic acid?
copper;2-nitro-4-propan-2-ylbenzoic acid has a molecular weight of 272.75 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-nitro-4-propan-2-ylbenzoic acid is sourced from PubChem (CID 175716699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).