Home Halogens 5-(7-chloro-2H-1,3-benzodioxol-5-yl)-1-(propan-2-yl)imidazolidin-2-imine hydrobromide

5-(7-chloro-2H-1,3-benzodioxol-5-yl)-1-(propan-2-yl)imidazolidin-2-imine hydrobromide

CAS No.:
1803561-30-9
Catalog Number:
AG01B8SO
Molecular Formula:
C13H17BrClN3O2
Molecular Weight:
362.6500
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Product Description
Catalog Number:
AG01B8SO
Chemical Name:
5-(7-chloro-2H-1,3-benzodioxol-5-yl)-1-(propan-2-yl)imidazolidin-2-imine hydrobromide
CAS Number:
1803561-30-9
Molecular Formula:
C13H17BrClN3O2
Molecular Weight:
362.6500
MDL Number:
MFCD28656585
IUPAC Name:
5-(7-chloro-1,3-benzodioxol-5-yl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine;hydrobromide
InChI:
InChI=1S/C13H16ClN3O2.BrH/c1-7(2)17-10(5-16-13(17)15)8-3-9(14)12-11(4-8)18-6-19-12;/h3-4,7,10H,5-6H2,1-2H3,(H2,15,16);1H
InChI Key:
MHEOUGBYRYZCFU-UHFFFAOYSA-N
SMILES:
CC(N1C(=N)NCC1c1cc(Cl)c2c(c1)OCO2)C.Br
Properties
Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.019g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
362.652g/mol
Monoisotopic Mass:
361.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties