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Home Other Building Blocks 3,7-bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one

3,7-bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one

CAS No.:
231607-77-5
Catalog Number:
AG01BDPH
Molecular Formula:
C10H4F6N2O
Molecular Weight:
282.1420
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Product Description
Catalog Number:
AG01BDPH
Chemical Name:
3,7-bis(trifluoromethyl)-1,2-dihydroquinoxalin-2-one
CAS Number:
231607-77-5
Molecular Formula:
C10H4F6N2O
Molecular Weight:
282.1420
MDL Number:
MFCD28023661
IUPAC Name:
3,7-bis(trifluoromethyl)-1H-quinoxalin-2-one
InChI:
InChI=1S/C10H4F6N2O/c11-9(12,13)4-1-2-5-6(3-4)18-8(19)7(17-5)10(14,15)16/h1-3H,(H,18,19)
InChI Key:
QTULGPUFALWLQU-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2cc(ccc2nc1C(F)(F)F)C(F)(F)F
NSC Number:
701695
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.023g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.145g/mol
Monoisotopic Mass:
282.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Preparation and biological evaluation of 6/7-trifluoromethyl(nitro)-, 6,7-difluoro-3-alkyl (aryl)-substituted-quinoxalin-2-ones. Part 3. Farmaco (Societa chimica italiana : 1989) 19990331
Properties