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1864014-56-1 | tert-butyl N-(1-phenyl-1H-imidazol-5-yl)carbamate
CAS No: 1864014-56-1 Catalog No: AG019ZRZ MDL No:MFCD29033723
Product Description
Catalog Number:
AG019ZRZ
Chemical Name:
tert-butyl N-(1-phenyl-1H-imidazol-5-yl)carbamate
CAS Number:
1864014-56-1
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
MDL Number:
MFCD29033723
IUPAC Name:
tert-butyl N-(3-phenylimidazol-4-yl)carbamate
InChI:
InChI=1S/C14H17N3O2/c1-14(2,3)19-13(18)16-12-9-15-10-17(12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,18)
InChI Key:
IDSFPQBRGFSBLE-UHFFFAOYSA-N
SMILES:
O=C(Nc1cncn1c1ccccc1)OC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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