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Home Carboxys 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

CAS No.:
82419-35-0
Catalog Number:
AG0038EZ
Molecular Formula:
C13H9F2NO4
Molecular Weight:
281.2117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$100
- +
10g
97%
In Stock USA
United States
$163
- +
25g
97%
In Stock USA
United States
$300
- +
100g
97%
In Stock USA
United States
$813
- +
Product Description
Catalog Number:
AG0038EZ
Chemical Name:
9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
CAS Number:
82419-35-0
Molecular Formula:
C13H9F2NO4
Molecular Weight:
281.2117
MDL Number:
MFCD00226106
IUPAC Name:
6,7-difluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
InChI:
InChI=1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)
InChI Key:
NVKWWNNJFKZNJO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3F)F
EC Number:
700-160-8
Properties
Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.05g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.215g/mol
Monoisotopic Mass:
281.05g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2. Journal of medicinal chemistry 20061102
Properties