200,000+ products from a single source!
sales@angenechem.com
198494-75-6 | 1,3-Dioxane-4,6-dione, 5-[(4-bromophenyl)methyl]-2,2-dimethyl-
CAS No: 198494-75-6 Catalog No: AG002BKA MDL No:
Product Description
Catalog Number:
AG002BKA
Chemical Name:
1,3-Dioxane-4,6-dione, 5-[(4-bromophenyl)methyl]-2,2-dimethyl-
CAS Number:
198494-75-6
Molecular Formula:
C13H13BrO4
Molecular Weight:
313.1439
IUPAC Name:
5-[(4-bromophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C13H13BrO4/c1-13(2)17-11(15)10(12(16)18-13)7-8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3
InChI Key:
XLALKHPCPCXJBY-UHFFFAOYSA-N
SMILES:
O=C1OC(C)(C)OC(=O)C1Cc1ccc(cc1)Br
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.147g/mol
Monoisotopic Mass:
312g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.