7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one

C7H4Cl2N2O2 — CID 82230833

IUPAC7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one
SMILESNc1c(Cl)cc(Cl)c2[nH]c(=O)oc12
InChIInChI=1S/C7H4Cl2N2O2/c8-2-1-3(9)5-6(4(2)10)13-7(12)11-5/h1H,10H2,(H,11,12)
InChIKeyRFEULYVBVBNXOW-UHFFFAOYSA-N
MW219.03 g/mol
LogP2.01
Rot. Bonds

About 7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one

7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one (PubChem CID 82230833) has the molecular formula C7H4Cl2N2O2 and a molecular weight of 219.03 g/mol. Its IUPAC name is 7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one
PubChem CID82230833
Molecular FormulaC7H4Cl2N2O2
Molecular Weight219.03 g/mol
Exact Mass217.96
IUPAC Name7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one
SMILESNc1c(Cl)cc(Cl)c2[nH]c(=O)oc12
InChIInChI=1S/C7H4Cl2N2O2/c8-2-1-3(9)5-6(4(2)10)13-7(12)11-5/h1H,10H2,(H,11,12)
InChIKeyRFEULYVBVBNXOW-UHFFFAOYSA-N
XLogP2.01
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one (CID 82230833) is 7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one is Nc1c(Cl)cc(Cl)c2[nH]c(=O)oc12.
What is the InChIKey of 7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one?
The InChIKey is RFEULYVBVBNXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O2/c8-2-1-3(9)5-6(4(2)10)13-7(12)11-5/h1H,10H2,(H,11,12).
What are the key properties of 7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one?
7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one has a molecular weight of 219.03 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4,6-dichloro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82230833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).