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87691-89-2 | 3-(Piperazin-1-yl);benzo[d]isoxazole
CAS No: 87691-89-2 Catalog No: AG003HZM MDL No:MFCD08060968
Product Description
Catalog Number:
AG003HZM
Chemical Name:
3-(Piperazin-1-yl);benzo[d]isoxazole
CAS Number:
87691-89-2
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD08060968
IUPAC Name:
3-piperazin-1-yl-1,2-benzoxazole
InChI:
InChI=1S/C11H13N3O/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChI Key:
ZDFQBFVFCPABKQ-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1noc2c1cccc2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| New 3-benzisothiazolyl and 3-benzisoxazolylpiperazine derivatives with atypical antipsychotic binding profile. | European journal of medicinal chemistry 20020901 |
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