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1384984-28-4

1384984-28-4 | 2-Pyrimidinemethanol, 5-[4-amino-2-fluoro-5-nitro-3-(tetrahydro-2-furanyl)phenyl]-α,α-dimethyl-

CAS No: 1384984-28-4 Catalog No: AG0019AE MDL No:

Product Description

Catalog Number:
AG0019AE
Chemical Name:
2-Pyrimidinemethanol, 5-[4-amino-2-fluoro-5-nitro-3-(tetrahydro-2-furanyl)phenyl]-α,α-dimethyl-
CAS Number:
1384984-28-4
Molecular Formula:
C17H19FN4O4
Molecular Weight:
362.3556
IUPAC Name:
2-[5-[4-amino-2-fluoro-5-nitro-3-(oxolan-2-yl)phenyl]pyrimidin-2-yl]propan-2-ol
InChI:
InChI=1S/C17H19FN4O4/c1-17(2,23)16-20-7-9(8-21-16)10-6-11(22(24)25)15(19)13(14(10)18)12-4-3-5-26-12/h6-8,12,23H,3-5,19H2,1-2H3
InChI Key:
ITDGFNLFDFXLOL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c2cnc(nc2)C(O)(C)C)c(c(c1N)C1CCCO1)F

Properties

Complexity:
510  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.139g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
362.361g/mol
Monoisotopic Mass:
362.139g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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