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Chemical ID: 6702432
Chemical ID:
6702432
Name [?]:
2-(2,6-dichlorophenyl)sulfonylaminoacetate
SMILES [?]:
c1cc(c(c(c1)Cl)S(=O)(=O)NCC(=O)[O-])Cl
InChi [?]:
InChI=1/C8H7Cl2NO4S/c9-5-2-1-3-6(10)8(5)16(14,15)11-4-7(12)13/h1-3,11H,4H2,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,12,3,5,13,4,16,7,11,14,15,9,10,8/E:(2,3)(5,6)(9,10)(12,13)(14,15)/CRV:16.6/rA:16nCCCCCCClSOONCCOO-Cl/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;d13;s13;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6Cl2NO4S- |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.8365 |
Area: | 408.77 |
Solvation: | -43.0557 |
Coulombic: | -13.9198 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.109 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.02 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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