200,000+ products from a single source!
sales@angenechem.com
832717-28-9 | Isoxazolo[4,5-d]pyrimidin-7(4H)-one, 3-[4-(methylsulfonyl)phenyl]-
CAS No: 832717-28-9 Catalog No: AG004YCB MDL No:
Product Description
Catalog Number:
AG004YCB
Chemical Name:
Isoxazolo[4,5-d]pyrimidin-7(4H)-one, 3-[4-(methylsulfonyl)phenyl]-
CAS Number:
832717-28-9
Molecular Formula:
C12H9N3O4S
Molecular Weight:
291.2826
IUPAC Name:
3-(4-methylsulfonylphenyl)-6H-[1,2]oxazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C12H9N3O4S/c1-20(17,18)8-4-2-7(3-5-8)9-10-11(19-15-9)12(16)14-6-13-10/h2-6H,1H3,(H,13,14,16)
InChI Key:
ZWLPXRTUYBSHPO-UHFFFAOYSA-N
SMILES:
O=c1nc[nH]c2c1onc2c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.281g/mol
Monoisotopic Mass:
291.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.