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105684-82-0 | 4-(Piperazin-1-yl)benzo[d]oxazole
CAS No: 105684-82-0 Catalog No: AG007DKW MDL No:
Product Description
Catalog Number:
AG007DKW
Chemical Name:
4-(Piperazin-1-yl)benzo[d]oxazole
CAS Number:
105684-82-0
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
IUPAC Name:
4-piperazin-1-yl-1,3-benzoxazole
InChI:
InChI=1S/C11H13N3O/c1-2-9(14-6-4-12-5-7-14)11-10(3-1)15-8-13-11/h1-3,8,12H,4-7H2
InChI Key:
ABQLIOHPHGHDFE-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1cccc2c1nco2
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:
1.2
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