(4-amino-3,5-dichlorophenyl) formate

C7H5Cl2NO2 — CID 174892330

IUPAC(4-amino-3,5-dichlorophenyl) formate
SMILESNc1c(Cl)cc(OC=O)cc1Cl
InChIInChI=1S/C7H5Cl2NO2/c8-5-1-4(12-3-11)2-6(9)7(5)10/h1-3H,10H2
InChIKeyLJUNIQXAWPATGL-UHFFFAOYSA-N
MW206.03 g/mol
LogP2.11
Rot. Bonds2

About (4-amino-3,5-dichlorophenyl) formate

(4-amino-3,5-dichlorophenyl) formate (PubChem CID 174892330) has the molecular formula C7H5Cl2NO2 and a molecular weight of 206.03 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl) formate.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl) formate
PubChem CID174892330
Molecular FormulaC7H5Cl2NO2
Molecular Weight206.03 g/mol
Exact Mass204.97
IUPAC Name(4-amino-3,5-dichlorophenyl) formate
SMILESNc1c(Cl)cc(OC=O)cc1Cl
InChIInChI=1S/C7H5Cl2NO2/c8-5-1-4(12-3-11)2-6(9)7(5)10/h1-3H,10H2
InChIKeyLJUNIQXAWPATGL-UHFFFAOYSA-N
XLogP2.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl) formate?
The IUPAC name of (4-amino-3,5-dichlorophenyl) formate (CID 174892330) is (4-amino-3,5-dichlorophenyl) formate.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl) formate?
The canonical SMILES for (4-amino-3,5-dichlorophenyl) formate is Nc1c(Cl)cc(OC=O)cc1Cl.
What is the InChIKey of (4-amino-3,5-dichlorophenyl) formate?
The InChIKey is LJUNIQXAWPATGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2/c8-5-1-4(12-3-11)2-6(9)7(5)10/h1-3H,10H2.
What are the key properties of (4-amino-3,5-dichlorophenyl) formate?
(4-amino-3,5-dichlorophenyl) formate has a molecular weight of 206.03 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl) formate is sourced from PubChem (CID 174892330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).