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Chemical ID: 3996136
Chemical ID:
3996136
Name [?]:
2-(4-bromo-2,6-dichloro-phenyl)sulfonylaminoacetic acid
SMILES [?]:
c1c(cc(c(c1Cl)S(=O)(=O)NCC(=O)O)Cl)Br
InChi [?]:
InChI=1/C8H6BrCl2NO4S/c9-4-1-5(10)8(6(11)2-4)17(15,16)12-3-7(13)14/h1-2,12H,3H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,12,2,6,4,13,5,17,7,16,11,14,15,9,10,8/E:(1,2)(5,6)(10,11)(13,14)(15,16)/CRV:17.6/rA:17nCCCCCCClSOONCCOOClBr/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;d8;s8;s11;s12;d13;s13;s4;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6BrCl2NO4S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7247 |
Area: | 441.962 |
Solvation: | -3.32434 |
Coulombic: | -37.2305 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 363.013 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.3 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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