2-chloro-7H-1,3-benzoxazol-6-one

C7H4ClNO2 — CID 70465359

IUPAC2-chloro-7H-1,3-benzoxazol-6-one
SMILESO=C1C=Cc2nc(Cl)oc2C1
InChIInChI=1S/C7H4ClNO2/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-2H,3H2
InChIKeyFESSCBUVQXAGFC-UHFFFAOYSA-N
MW169.57 g/mol
LogP1.47
Rot. Bonds

About 2-chloro-7H-1,3-benzoxazol-6-one

2-chloro-7H-1,3-benzoxazol-6-one (PubChem CID 70465359) has the molecular formula C7H4ClNO2 and a molecular weight of 169.57 g/mol. Its IUPAC name is 2-chloro-7H-1,3-benzoxazol-6-one.

Molecular Properties

Compound Name2-chloro-7H-1,3-benzoxazol-6-one
PubChem CID70465359
Molecular FormulaC7H4ClNO2
Molecular Weight169.57 g/mol
Exact Mass168.99
IUPAC Name2-chloro-7H-1,3-benzoxazol-6-one
SMILESO=C1C=Cc2nc(Cl)oc2C1
InChIInChI=1S/C7H4ClNO2/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-2H,3H2
InChIKeyFESSCBUVQXAGFC-UHFFFAOYSA-N
XLogP1.47
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7H-1,3-benzoxazol-6-one?
The IUPAC name of 2-chloro-7H-1,3-benzoxazol-6-one (CID 70465359) is 2-chloro-7H-1,3-benzoxazol-6-one.
What is the SMILES notation for 2-chloro-7H-1,3-benzoxazol-6-one?
The canonical SMILES for 2-chloro-7H-1,3-benzoxazol-6-one is O=C1C=Cc2nc(Cl)oc2C1.
What is the InChIKey of 2-chloro-7H-1,3-benzoxazol-6-one?
The InChIKey is FESSCBUVQXAGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO2/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-2H,3H2.
What are the key properties of 2-chloro-7H-1,3-benzoxazol-6-one?
2-chloro-7H-1,3-benzoxazol-6-one has a molecular weight of 169.57 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7H-1,3-benzoxazol-6-one is sourced from PubChem (CID 70465359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).