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1008774-63-7 | 1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazine dihydrochloride
CAS No: 1008774-63-7 Catalog No: AG01A9K0 MDL No:MFCD16622118
Product Description
Catalog Number:
AG01A9K0
Chemical Name:
1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazine dihydrochloride
CAS Number:
1008774-63-7
Molecular Formula:
C14H19Cl2N3O
Molecular Weight:
316.2262
MDL Number:
MFCD16622118
IUPAC Name:
3-phenyl-5-(piperazin-1-ylmethyl)-1,2-oxazole;dihydrochloride
InChI:
InChI=1S/C14H17N3O.2ClH/c1-2-4-12(5-3-1)14-10-13(18-16-14)11-17-8-6-15-7-9-17;;/h1-5,10,15H,6-9,11H2;2*1H
InChI Key:
KKABIYCUSWQOCT-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1onc(c1)c1ccccc1.Cl.Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
316.226g/mol
Monoisotopic Mass:
315.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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