200,000+ products from a single source!
sales@angenechem.com
126656-88-0 | Bicyclo[3.2.1]octane-2,4-dione, 3-[2-chloro-4-(methylsulfonyl)benzoyl]-
CAS No: 126656-88-0 Catalog No: AG000T1S MDL No:
Product Description
Catalog Number:
AG000T1S
Chemical Name:
Bicyclo[3.2.1]octane-2,4-dione, 3-[2-chloro-4-(methylsulfonyl)benzoyl]-
CAS Number:
126656-88-0
Molecular Formula:
C16H15ClO5S
Molecular Weight:
354.8053
IUPAC Name:
3-(2-chloro-4-methylsulfonylbenzoyl)bicyclo[3.2.1]octane-2,4-dione
InChI:
InChI=1S/C16H15ClO5S/c1-23(21,22)10-4-5-11(12(17)7-10)16(20)13-14(18)8-2-3-9(6-8)15(13)19/h4-5,7-9,13H,2-3,6H2,1H3
InChI Key:
MEFVXFJMVNQBSS-UHFFFAOYSA-N
SMILES:
O=C1C2CCC(C2)C(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.033g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.801g/mol
Monoisotopic Mass:
354.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.