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

C7H4ClNO2 — CID 11286706

IUPAC7-chloro-1,2-benzoxazol-3-one
SMILESO=c1[nH]oc2c(Cl)cccc12
InChIInChI=1S/C7H4ClNO2/c8-5-3-1-2-4-6(5)11-9-7(4)10/h1-3H,(H,9,10)
InChIKeyPSJBNRGIWUPYOT-UHFFFAOYSA-N
MW169.57 g/mol
LogP1.77
Rot. Bonds

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

7-chloro-1,2-benzoxazol-3-one (PubChem CID 11286706) has the molecular formula C7H4ClNO2 and a molecular weight of 169.57 g/mol. Its IUPAC name is 7-chloro-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name7-chloro-1,2-benzoxazol-3-one
PubChem CID11286706
Molecular FormulaC7H4ClNO2
Molecular Weight169.57 g/mol
Exact Mass168.99
IUPAC Name7-chloro-1,2-benzoxazol-3-one
SMILESO=c1[nH]oc2c(Cl)cccc12
InChIInChI=1S/C7H4ClNO2/c8-5-3-1-2-4-6(5)11-9-7(4)10/h1-3H,(H,9,10)
InChIKeyPSJBNRGIWUPYOT-UHFFFAOYSA-N
XLogP1.77
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-1,3-benzoxazine-2,4-dione
CID 11571962
7-ethyl-1,2-benzoxazol-3-one
CID 125425410
3-bromo-8-chlorochromen-4-one
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[1,2]oxazolo[5,4-b]pyridin-3-one
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3-amino-8-chloro-4-hydroxychromen-2-one
CID 130018302
8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione
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8-chloro-1H-3,1-benzoxazine-2,4-dione
CID 517535
7-chloro-1-benzofuran-3-carbaldehyde
CID 82408697
4-tert-butyl-8-chloro-2H-phthalazin-1-one
CID 59485478
4-(bromomethyl)-5-chloroxanthen-9-one
CID 14519936
7-chloro-4-hydroxybenzo[h]chromen-2-one
CID 131865681
7-chloro-3-methyl-1-benzofuran
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2-benzoxazol-3-one?
The IUPAC name of 7-chloro-1,2-benzoxazol-3-one (CID 11286706) is 7-chloro-1,2-benzoxazol-3-one.
What is the SMILES notation for 7-chloro-1,2-benzoxazol-3-one?
The canonical SMILES for 7-chloro-1,2-benzoxazol-3-one is O=c1[nH]oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-1,2-benzoxazol-3-one?
The InChIKey is PSJBNRGIWUPYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO2/c8-5-3-1-2-4-6(5)11-9-7(4)10/h1-3H,(H,9,10).
What are the key properties of 7-chloro-1,2-benzoxazol-3-one?
7-chloro-1,2-benzoxazol-3-one has a molecular weight of 169.57 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2-benzoxazol-3-one is sourced from PubChem (CID 11286706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).