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Home > Imidazoles > 99840-59-2
99840-59-2 | 5-(TERT-BUTYL)-1,3-DIHYDRO-2H-BENZO[D]IMIDAZOL-2-ONE
CAS No: 99840-59-2 Catalog No: AG003W79 MDL No:MFCD07778332
Product Description
Catalog Number:
AG003W79
Chemical Name:
5-(TERT-BUTYL)-1,3-DIHYDRO-2H-BENZO[D]IMIDAZOL-2-ONE
CAS Number:
99840-59-2
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD07778332
IUPAC Name:
5-tert-butyl-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C11H14N2O/c1-11(2,3)7-4-5-8-9(6-7)13-10(14)12-8/h4-6H,1-3H3,(H2,12,13,14)
InChI Key:
BAZSVTYRUIVMIN-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2c([nH]1)cc(cc2)C(C)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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