Home Boronic acids AG01DXBJ

CAS No.:
1936593-51-9
Catalog Number:
AG01DXBJ
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
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Product Description
Catalog Number:
AG01DXBJ
CAS Number:
1936593-51-9
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
IUPAC Name:
tert-butyl N-(1H-imidazol-2-yl)-N-methylcarbamate
InChI:
InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)12(4)7-10-5-6-11-7/h5-6H,1-4H3,(H,10,11)
InChI Key:
FZNYTKRCBQZBRF-UHFFFAOYSA-N
SMILES:
O=C(N(c1ncc[nH]1)C)OC(C)(C)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.116g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.238g/mol
Monoisotopic Mass:
197.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties