200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113459-05-5
113459-05-5 | Benzoic acid, 4-(methylsulfonyl)-, (2-methoxybenzoyl)azanyl ester
CAS No: 113459-05-5 Catalog No: AG0008OH MDL No:
Product Description
Catalog Number:
AG0008OH
Chemical Name:
Benzoic acid, 4-(methylsulfonyl)-, (2-methoxybenzoyl)azanyl ester
CAS Number:
113459-05-5
Molecular Formula:
C16H15NO6S
Molecular Weight:
349.3584
IUPAC Name:
[(2-methoxybenzoyl)amino] 4-methylsulfonylbenzoate
InChI:
InChI=1S/C16H15NO6S/c1-22-14-6-4-3-5-13(14)15(18)17-23-16(19)11-7-9-12(10-8-11)24(2,20)21/h3-10H,1-2H3,(H,17,18)
InChI Key:
BGOFNIKVYIQLBT-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)NOC(=O)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.062g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.357g/mol
Monoisotopic Mass:
349.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.