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Chemical ID: 6048448
Chemical ID:
6048448
Name [?]:
1-bromo-4-(4-bromophenyl)disulfanyl-benzene
SMILES [?]:
c1cc(ccc1SSc2ccc(cc2)Br)Br
InChi [?]:
InChI=1/C12H8Br2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
InChi Info:
AuxInfo=1/0/N:2,4,11,13,1,5,10,14,3,12,6,9,16,15,7,8/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)/rA:16nCCCCCCSSCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8Br2S2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.476 |
Area: | 445.003 |
Solvation: | -0.649068 |
Coulombic: | -4.05644 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 376.132 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.07 |
LogP (Chemaxon): | 6.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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