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49761-82-2 | N-Boc-Imidazole
CAS No: 49761-82-2 Catalog No: AG0035CZ MDL No:MFCD00014497
Product Description
Catalog Number:
AG0035CZ
Chemical Name:
N-Boc-Imidazole
CAS Number:
49761-82-2
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD00014497
IUPAC Name:
tert-butyl imidazole-1-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-8(2,3)12-7(11)10-5-4-9-6-10/h4-6H,1-3H3
InChI Key:
MTBKGWHHOBJMHJ-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)OC(C)(C)C
EC Number:
256-475-1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| tert-Butyl imidazole-1-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20090201 |
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