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1353948-40-9 | 2-(3-Methyl-piperazin-1-yl)-benzooxazole hydrochloride
CAS No: 1353948-40-9 Catalog No: AG009IAE MDL No:MFCD21098972
Product Description
Catalog Number:
AG009IAE
Chemical Name:
2-(3-Methyl-piperazin-1-yl)-benzooxazole hydrochloride
CAS Number:
1353948-40-9
Molecular Formula:
C12H16ClN3O
Molecular Weight:
253.7279
MDL Number:
MFCD21098972
IUPAC Name:
2-(3-methylpiperazin-1-yl)-1,3-benzoxazole;hydrochloride
InChI:
InChI=1S/C12H15N3O.ClH/c1-9-8-15(7-6-13-9)12-14-10-4-2-3-5-11(10)16-12;/h2-5,9,13H,6-8H2,1H3;1H
InChI Key:
DHUIQJOBXJHXFO-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1nc2c(o1)cccc2.Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.73g/mol
Monoisotopic Mass:
253.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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