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Home > Imidazoles > 876392-21-1
876392-21-1 | tert-butyl N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]carbamate
CAS No: 876392-21-1 Catalog No: AG01DD1J MDL No:MFCD24470212
Product Description
Catalog Number:
AG01DD1J
Chemical Name:
tert-butyl N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]carbamate
CAS Number:
876392-21-1
Molecular Formula:
C11H17N3O3
Molecular Weight:
239.2710
MDL Number:
MFCD24470212
IUPAC Name:
tert-butyl N-[2-(1-methylimidazol-2-yl)-2-oxoethyl]carbamate
InChI:
InChI=1S/C11H17N3O3/c1-11(2,3)17-10(16)13-7-8(15)9-12-5-6-14(9)4/h5-6H,7H2,1-4H3,(H,13,16)
InChI Key:
WAOJOLYKZNBOTL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(=O)c1nccn1C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.275g/mol
Monoisotopic Mass:
239.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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