Home Halogens 1-[(6-chloropyridin-3-yl)methyl]-2,3-dihydro-1H-imidazol-2-one

1-[(6-chloropyridin-3-yl)methyl]-2,3-dihydro-1H-imidazol-2-one

CAS No.:
223380-78-7
Catalog Number:
AG01C4TY
Molecular Formula:
C9H8ClN3O
Molecular Weight:
209.6323
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Product Description
Catalog Number:
AG01C4TY
Chemical Name:
1-[(6-chloropyridin-3-yl)methyl]-2,3-dihydro-1H-imidazol-2-one
CAS Number:
223380-78-7
Molecular Formula:
C9H8ClN3O
Molecular Weight:
209.6323
MDL Number:
MFCD24599220
IUPAC Name:
3-[(6-chloropyridin-3-yl)methyl]-1H-imidazol-2-one
InChI:
InChI=1S/C9H8ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-5H,6H2,(H,11,14)
InChI Key:
VGSAOKKSQMGWDD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cn1)Cn1cc[nH]c1=O
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.633g/mol
Monoisotopic Mass:
209.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties