Home Other Building Blocks 4-(3-HYDROXYISOXAZOL-5-YL)PIPERIDINIUM BROMIDE

4-(3-HYDROXYISOXAZOL-5-YL)PIPERIDINIUM BROMIDE

CAS No.:
1215466-71-9
Catalog Number:
AG01DYIQ
Molecular Formula:
C8H13BrN2O2
Molecular Weight:
249.1050
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Product Description
Catalog Number:
AG01DYIQ
Chemical Name:
4-(3-HYDROXYISOXAZOL-5-YL)PIPERIDINIUM BROMIDE
CAS Number:
1215466-71-9
Molecular Formula:
C8H13BrN2O2
Molecular Weight:
249.1050
MDL Number:
MFCD08423665
IUPAC Name:
5-piperidin-1-ium-4-yl-1,2-oxazol-3-one;bromide
InChI:
InChI=1S/C8H12N2O2.BrH/c11-8-5-7(12-10-8)6-1-3-9-4-2-6;/h5-6,9H,1-4H2,(H,10,11);1H
InChI Key:
XQFQPBIFTDVDSY-UHFFFAOYSA-N
SMILES:
Oc1noc(c1)C1CCNCC1.Br
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.016g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.108g/mol
Monoisotopic Mass:
248.016g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties