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22964-47-2 | Benzoic acid, 3-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester
CAS No: 22964-47-2 Catalog No: AG002LQE MDL No:
Product Description
Catalog Number:
AG002LQE
Chemical Name:
Benzoic acid, 3-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester
CAS Number:
22964-47-2
Molecular Formula:
C15H23NO8S2
Molecular Weight:
409.4750
IUPAC Name:
ethyl 3-[bis(2-methylsulfonyloxyethyl)amino]benzoate
InChI:
InChI=1S/C15H23NO8S2/c1-4-22-15(17)13-6-5-7-14(12-13)16(8-10-23-25(2,18)19)9-11-24-26(3,20)21/h5-7,12H,4,8-11H2,1-3H3
InChI Key:
GZGGTJMXHDPVQI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C
NSC Number:
101674
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.087g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.468g/mol
Monoisotopic Mass:
409.087g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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