Chemical ID: 6702368

c1ccc(c(c1)F)S(=O)(=O)NCC(=O)[O-]
Chemical ID:
6702368
Name [?]:
2-(2-fluorophenyl)sulfonylaminoacetate
SMILES [?]:
c1ccc(c(c1)F)S(=O)(=O)NCC(=O)[O-]
InChi [?]:
InChI=1/C8H8FNO4S/c9-6-3-1-2-4-7(6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,5,4,13,7,11,14,15,9,10,8/E:(11,12)(13,14)/CRV:15.6/rA:15nCCCCCCFSOONCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7FNO4S-
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-35.0984
Area:372.319
Solvation:-44.4064
Coulombic:-16.6159
Bond Count [?]
All:15
Single:9
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.21
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.07
LogP (Chemaxon):0.61

Name Annotations

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Descriptor Annotations

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