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113563-65-8 | Acetic acid, 2-[4-[2-[[(4-azidophenyl)sulfonyl]amino]ethyl]phenoxy]-
CAS No: 113563-65-8 Catalog No: AG00090R MDL No:
Product Description
Catalog Number:
AG00090R
Chemical Name:
Acetic acid, 2-[4-[2-[[(4-azidophenyl)sulfonyl]amino]ethyl]phenoxy]-
CAS Number:
113563-65-8
Molecular Formula:
C16H16N4O5S
Molecular Weight:
376.3870
IUPAC Name:
2-[4-[2-[(4-azidophenyl)sulfonylamino]ethyl]phenoxy]acetic acid
InChI:
InChI=1S/C16H16N4O5S/c17-20-19-13-3-7-15(8-4-13)26(23,24)18-10-9-12-1-5-14(6-2-12)25-11-16(21)22/h1-8,18H,9-11H2,(H,21,22)
InChI Key:
YEWXWCSWONXHHY-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)OCC(=O)O
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.084g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.387g/mol
Monoisotopic Mass:
376.084g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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