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Chemical ID: 6836645
Chemical ID:
6836645
Name [?]:
(4-bromo-2-fluoro-phenyl)-(3-fluorophenyl)sulfonyl-azanide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)[N-]c2ccc(cc2F)Br)F
InChi [?]:
InChI=1/C12H7BrF2NO2S/c13-8-4-5-12(11(15)6-8)16-19(17,18)10-3-1-2-9(14)7-10/h1-7H/q-1
InChi Info:
AuxInfo=1/0/N:1,2,6,13,12,15,4,14,3,5,16,11,18,19,17,10,8,9,7/E:(17,18)/CRV:16-1,19.6/rA:19nCCCCCCSOON-CCCCCCFBrF/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H7BrF2NO2S- |
All Atoms: | 26 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.6301 |
Area: | 441.613 |
Solvation: | -33.6704 |
Coulombic: | 14.3652 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 347.156 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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