200,000+ products from a single source!
sales@angenechem.com
832717-29-0 | Isoxazolo[4,5-d]pyrimidine, 7-chloro-3-[4-(methylsulfonyl)phenyl]-
CAS No: 832717-29-0 Catalog No: AG004TU1 MDL No:
Product Description
Catalog Number:
AG004TU1
Chemical Name:
Isoxazolo[4,5-d]pyrimidine, 7-chloro-3-[4-(methylsulfonyl)phenyl]-
CAS Number:
832717-29-0
Molecular Formula:
C12H8ClN3O3S
Molecular Weight:
309.7282
IUPAC Name:
7-chloro-3-(4-methylsulfonylphenyl)-[1,2]oxazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C12H8ClN3O3S/c1-20(17,18)8-4-2-7(3-5-8)9-10-11(19-16-9)12(13)15-6-14-10/h2-6H,1H3
InChI Key:
OUPAMRWFKPSWLZ-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1onc2c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.997g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.724g/mol
Monoisotopic Mass:
308.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
© 2019 Angene International Limited. All rights Reserved.