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138914-17-7 | Acetic acid, 2-[3-[[[(4-chlorophenyl)sulfonyl]amino]methyl]phenoxy]-
CAS No: 138914-17-7 Catalog No: AG0019U5 MDL No:
Product Description
Catalog Number:
AG0019U5
Chemical Name:
Acetic acid, 2-[3-[[[(4-chlorophenyl)sulfonyl]amino]methyl]phenoxy]-
CAS Number:
138914-17-7
Molecular Formula:
C15H14ClNO5S
Molecular Weight:
355.7934
IUPAC Name:
2-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenoxy]acetic acid
InChI:
InChI=1S/C15H14ClNO5S/c16-12-4-6-14(7-5-12)23(20,21)17-9-11-2-1-3-13(8-11)22-10-15(18)19/h1-8,17H,9-10H2,(H,18,19)
InChI Key:
YBUMMJYHBLTFGM-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cccc(c1)CNS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.028g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.789g/mol
Monoisotopic Mass:
355.028g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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