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Home > Imidazoles > 69811-33-2
69811-33-2 | Carbamic acid, (4,5-dihydro-4-phenyl-1H-imidazol-2-yl)-, ethyl ester
CAS No: 69811-33-2 Catalog No: AG005TM8 MDL No:
Product Description
Catalog Number:
AG005TM8
Chemical Name:
Carbamic acid, (4,5-dihydro-4-phenyl-1H-imidazol-2-yl)-, ethyl ester
CAS Number:
69811-33-2
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
ethyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate
InChI:
InChI=1S/C12H15N3O2/c1-2-17-12(16)15-11-13-8-10(14-11)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,13,14,15,16)
InChI Key:
OKHQWADIIMWOOX-UHFFFAOYSA-N
SMILES:
CCOC(=O)NC1=NC(CN1)c1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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