5,6-dichloro-3H-1,3-benzoxazol-2-one

C7H3Cl2NO2 — CID 21356

IUPAC5,6-dichloro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C7H3Cl2NO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)
InChIKeyWLWRBOFZMOBYJR-UHFFFAOYSA-N
MW204.01 g/mol
LogP2.43
Rot. Bonds

About 5,6-dichloro-3H-1,3-benzoxazol-2-one

5,6-dichloro-3H-1,3-benzoxazol-2-one (PubChem CID 21356) has the molecular formula C7H3Cl2NO2 and a molecular weight of 204.01 g/mol. Its IUPAC name is 5,6-dichloro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5,6-dichloro-3H-1,3-benzoxazol-2-one
PubChem CID21356
Molecular FormulaC7H3Cl2NO2
Molecular Weight204.01 g/mol
Exact Mass202.95
IUPAC Name5,6-dichloro-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C7H3Cl2NO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)
InChIKeyWLWRBOFZMOBYJR-UHFFFAOYSA-N
XLogP2.43
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.01
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorzoxazone
CID 2733
6-Chloro-2,3-dihydrobenzoxazol-2-one
CID 29858
Gsk180
CID 105539874
Trilan
CID 39851
2-Benzoxazolinone, 6-amino-5-chloro-
CID 46404
2-Benzoxazolinone, 4,5,7-trichloro-
CID 46405
6-Chloro-3-(chloromethyl)-2(3H)-benzoxazolone
CID 38504
2-Benzoxazolinone, 3-(3-chloropropyl)-5,6-dichloro-
CID 205845
2-Benzoxazolinone, 5,6-dichloro-3-(3-methoxypropyl)-
CID 210012
3,4-Dichlorophenyl N-(3,4-dichlorophenyl)carbamate
CID 5009796
7-Amino-5-chloro-2,3-dihydro-1,3-benzoxazol-2-one
CID 29971363
4-chloro-3H-1,3-benzoxazol-2-one
CID 3626592

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5,6-dichloro-3H-1,3-benzoxazol-2-one (CID 21356) is 5,6-dichloro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5,6-dichloro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5,6-dichloro-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(Cl)c(Cl)cc2o1.
What is the InChIKey of 5,6-dichloro-3H-1,3-benzoxazol-2-one?
The InChIKey is WLWRBOFZMOBYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2NO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11).
What are the key properties of 5,6-dichloro-3H-1,3-benzoxazol-2-one?
5,6-dichloro-3H-1,3-benzoxazol-2-one has a molecular weight of 204.01 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 21356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).