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Home > Imidazoles > 1260658-19-2
1260658-19-2 | Carbamic acid, N-1H-imidazol-5-yl-, phenylmethyl ester
CAS No: 1260658-19-2 Catalog No: AG000QYR MDL No:
Product Description
Catalog Number:
AG000QYR
Chemical Name:
Carbamic acid, N-1H-imidazol-5-yl-, phenylmethyl ester
CAS Number:
1260658-19-2
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
benzyl N-(1H-imidazol-5-yl)carbamate
InChI:
InChI=1S/C11H11N3O2/c15-11(14-10-6-12-8-13-10)16-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,12,13)(H,14,15)
InChI Key:
NNSMYJRWXYHPCV-UHFFFAOYSA-N
SMILES:
O=C(Nc1cnc[nH]1)OCc1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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