Home Other Building Blocks (3R)-3-tert-butyl-1,2,3,4-tetrahydroquinoxalin-2-one

(3R)-3-tert-butyl-1,2,3,4-tetrahydroquinoxalin-2-one

CAS No.:
2090026-70-1
Catalog Number:
AG01DW65
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
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Product Description
Catalog Number:
AG01DW65
Chemical Name:
(3R)-3-tert-butyl-1,2,3,4-tetrahydroquinoxalin-2-one
CAS Number:
2090026-70-1
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD31690943
IUPAC Name:
(3R)-3-tert-butyl-3,4-dihydro-1H-quinoxalin-2-one
InChI:
InChI=1S/C12H16N2O/c1-12(2,3)10-11(15)14-9-7-5-4-6-8(9)13-10/h4-7,10,13H,1-3H3,(H,14,15)/t10-/m0/s1
InChI Key:
RNKYEILWJKRRQH-JTQLQIEISA-N
SMILES:
O=C1Nc2ccccc2N[C@@H]1C(C)(C)C
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties