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Chemical ID: 4727954
Chemical ID:
4727954
Name [?]:
2,6-dibromo-4-cyclohexyl-aniline
SMILES [?]:
c1c(cc(c(c1Br)N)Br)C2CCCCC2
InChi [?]:
InChI=1/C12H15Br2N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h6-8H,1-5,15H2
InChi Info:
AuxInfo=1/0/N:13,12,14,11,15,1,3,10,2,6,4,5,7,9,8/E:(2,3)(4,5)(6,7)(10,11)(13,14)/rA:15nCCCCCCBrNBrCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s2;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15Br2N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59946 |
Area: | 405.295 |
Solvation: | -0.532918 |
Coulombic: | -19.165 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 333.062 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 5.57 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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