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Home > Imidazoles > 69810-99-7
69810-99-7 | Carbamic acid, (4,5-dihydro-4-phenyl-1H-imidazol-2-yl)-, methyl ester
CAS No: 69810-99-7 Catalog No: AG0066TU MDL No:
Product Description
Catalog Number:
AG0066TU
Chemical Name:
Carbamic acid, (4,5-dihydro-4-phenyl-1H-imidazol-2-yl)-, methyl ester
CAS Number:
69810-99-7
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
methyl N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)carbamate
InChI:
InChI=1S/C11H13N3O2/c1-16-11(15)14-10-12-7-9(13-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,12,13,14,15)
InChI Key:
SBUKTYMKOFPXBT-UHFFFAOYSA-N
SMILES:
COC(=O)NC1=NC(CN1)c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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