Home Nitriles 6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

CAS No.:
107955-83-9
Catalog Number:
AG008RR8
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%(HPLC)
In Stock USA
United States
$175
- +
1g
95%(HPLC)
In Stock USA
United States
$353
- +
Product Description
Catalog Number:
AG008RR8
Chemical Name:
6-Bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
107955-83-9
Molecular Formula:
C10H7BrN2O2
Molecular Weight:
267.0788
MDL Number:
MFCD00829040
IUPAC Name:
6-bromo-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C10H7BrN2O2/c11-7-1-2-8-6(9(7)14)3-5(4-12)10(15)13-8/h3,7H,1-2H2,(H,13,15)
InChI Key:
VOIOOSTYKDNWQI-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c([nH]c1=O)CCC(C2=O)Br
Properties
Complexity:
467  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.969g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.082g/mol
Monoisotopic Mass:
265.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties