1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid

C11H10ClN3O4 — CID 117068688

IUPAC1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid
SMILESO=C(Cn1ccnc1)c1cccc(Cl)c1.O=[N+]([O-])O
InChIInChI=1S/C11H9ClN2O.HNO3/c12-10-3-1-2-9(6-10)11(15)7-14-5-4-13-8-14;2-1(3)4/h1-6,8H,7H2;(H,2,3,4)
InChIKeyRVNHSUYNJHOUQW-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.07
Rot. Bonds3

About 1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid

1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid (PubChem CID 117068688) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid
PubChem CID117068688
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC Name1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid
SMILESO=C(Cn1ccnc1)c1cccc(Cl)c1.O=[N+]([O-])O
InChIInChI=1S/C11H9ClN2O.HNO3/c12-10-3-1-2-9(6-10)11(15)7-14-5-4-13-8-14;2-1(3)4/h1-6,8H,7H2;(H,2,3,4)
InChIKeyRVNHSUYNJHOUQW-UHFFFAOYSA-N
XLogP2.07
TPSA98.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.07
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid?
The IUPAC name of 1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid (CID 117068688) is 1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid.
What is the SMILES notation for 1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid?
The canonical SMILES for 1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid is O=C(Cn1ccnc1)c1cccc(Cl)c1.O=[N+]([O-])O.
What is the InChIKey of 1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid?
The InChIKey is RVNHSUYNJHOUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O.HNO3/c12-10-3-1-2-9(6-10)11(15)7-14-5-4-13-8-14;2-1(3)4/h1-6,8H,7H2;(H,2,3,4).
What are the key properties of 1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid?
1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid has a molecular weight of 283.67 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-imidazol-1-ylethanone;nitric acid is sourced from PubChem (CID 117068688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).