Chemical ID: 3996136

c1c(cc(c(c1Cl)S(=O)(=O)NCC(=O)O)Cl)Br
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

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