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1353966-05-8 | 2-Piperazin-1-yl-benzooxazole hydrochloride
CAS No: 1353966-05-8 Catalog No: AG009I9A MDL No:MFCD21098948
Product Description
Catalog Number:
AG009I9A
Chemical Name:
2-Piperazin-1-yl-benzooxazole hydrochloride
CAS Number:
1353966-05-8
Molecular Formula:
C11H14ClN3O
Molecular Weight:
239.7014
MDL Number:
MFCD21098948
IUPAC Name:
2-piperazin-1-yl-1,3-benzoxazole;hydrochloride
InChI:
InChI=1S/C11H13N3O.ClH/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
InChI Key:
XVIMBFAZRZMXRG-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1nc2c(o1)cccc2.Cl
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.703g/mol
Monoisotopic Mass:
239.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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