(5-chloro-2-formylphenyl) nitrate

C7H4ClNO4 — CID 174612607

IUPAC(5-chloro-2-formylphenyl) nitrate
SMILESO=Cc1ccc(Cl)cc1O[N+](=O)[O-]
InChIInChI=1S/C7H4ClNO4/c8-6-2-1-5(4-10)7(3-6)13-9(11)12/h1-4H
InChIKeyQFWFHWYUNNGDHU-UHFFFAOYSA-N
MW201.57 g/mol
LogP1.72
Rot. Bonds3

About (5-chloro-2-formylphenyl) nitrate

(5-chloro-2-formylphenyl) nitrate (PubChem CID 174612607) has the molecular formula C7H4ClNO4 and a molecular weight of 201.57 g/mol. Its IUPAC name is (5-chloro-2-formylphenyl) nitrate.

Molecular Properties

Compound Name(5-chloro-2-formylphenyl) nitrate
PubChem CID174612607
Molecular FormulaC7H4ClNO4
Molecular Weight201.57 g/mol
Exact Mass200.98
IUPAC Name(5-chloro-2-formylphenyl) nitrate
SMILESO=Cc1ccc(Cl)cc1O[N+](=O)[O-]
InChIInChI=1S/C7H4ClNO4/c8-6-2-1-5(4-10)7(3-6)13-9(11)12/h1-4H
InChIKeyQFWFHWYUNNGDHU-UHFFFAOYSA-N
XLogP1.72
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.57
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5-chloro-2-formylphenyl) nitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde
CID 86227851
(2-formylphenyl) nitrate;methanol
CID 175529828
4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
CID 114844686
4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
CID 114844667
(4-chloro-2-formylphenyl) 4-chlorobenzoate
CID 806646
2-(5-bromo-2-chlorophenoxy)-4-chlorobenzaldehyde
CID 114844928
5-chloro-2-(2-methyl-4-nitrophenoxy)benzaldehyde
CID 114844980
5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215
4-chloro-2-(3-fluorophenoxy)benzaldehyde
CID 58753975
4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 175222073
azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde
CID 161490550
(4-chloro-2-formylphenyl) 4-methylbenzoate
CID 4766937

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-formylphenyl) nitrate?
The IUPAC name of (5-chloro-2-formylphenyl) nitrate (CID 174612607) is (5-chloro-2-formylphenyl) nitrate.
What is the SMILES notation for (5-chloro-2-formylphenyl) nitrate?
The canonical SMILES for (5-chloro-2-formylphenyl) nitrate is O=Cc1ccc(Cl)cc1O[N+](=O)[O-].
What is the InChIKey of (5-chloro-2-formylphenyl) nitrate?
The InChIKey is QFWFHWYUNNGDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO4/c8-6-2-1-5(4-10)7(3-6)13-9(11)12/h1-4H.
What are the key properties of (5-chloro-2-formylphenyl) nitrate?
(5-chloro-2-formylphenyl) nitrate has a molecular weight of 201.57 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-formylphenyl) nitrate is sourced from PubChem (CID 174612607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).