Home Other Building Blocks PD318088

PD318088

CAS No.:
391210-00-7
Catalog Number:
AG00C6H4
Molecular Formula:
C16H13BrF3IN2O4
Molecular Weight:
561.0891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$283
- +
10mg
99%
1 week
United States
$483
- +
50mg
99%
1 week
United States
$1350
- +
100mg
99%
1 week
United States
$1807
- +
Product Description
Catalog Number:
AG00C6H4
Chemical Name:
PD318088
CAS Number:
391210-00-7
Molecular Formula:
C16H13BrF3IN2O4
Molecular Weight:
561.0891
MDL Number:
MFCD18384973
IUPAC Name:
5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
InChI:
InChI=1S/C16H13BrF3IN2O4/c17-10-4-9(16(26)23-27-6-8(25)5-24)15(14(20)13(10)19)22-12-2-1-7(21)3-11(12)18/h1-4,8,22,24-25H,5-6H2,(H,23,26)
InChI Key:
XXSSGBYXSKOLAM-UHFFFAOYSA-N
SMILES:
OCC(CONC(=O)c1cc(Br)c(c(c1Nc1ccc(cc1F)I)F)F)O
Properties
Complexity:
499  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
559.906g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
561.094g/mol
Monoisotopic Mass:
559.906g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties