6-Chloro-3-(3-chloropropyl)-2(3H)-benzoxazolone

HCID 21989869
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Basic information

CAS
33703-90-1
Standard SMILES
O=c1oc2cc(Cl)ccc2n1CCCCl
InChIKey
IPEQEKMGYJQYQQ-UHFFFAOYSA-N
Molecular formula
C10H9Cl2NO2
Average molar mass
246.09 g/mol
Monoisotopic mass
245.0010339

Names & identifiers

Preferred name
6-Chloro-3-(3-chloropropyl)-2(3H)-benzoxazolone
IUPAC
6-chloro-3-(3-chloropropyl)-1,3-benzoxazol-2-one

Names & synonyms

6-Chloro-3-(3-chloropropyl)-2(3H)-benzoxazolone33703-90-1SCHEMBL3028907DTXSID701245355DB-1970546-Chloro-3-(3-chloropropyl)-1,3-benzoxazol-2(3H)-one

Database identifiers

CAS
33703-90-1
PubChem CID
21989869
DTXSID
DTXSID701245355

Properties

Computed structural propertiesFilling in

XLogP
3.1
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Related reactions

2 records
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Compound notes

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