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Chemical ID: 6917904
Chemical ID:
6917904
Name [?]:
1-chloro-4-[2-chloro-1-(4-chlorophenyl)-ethyl]-benzene
SMILES [?]:
c1cc(ccc1C(CCl)c2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C14H11Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-8,14H,9H2
InChi Info:
AuxInfo=1/0/N:1,5,11,15,2,4,12,14,8,6,10,3,13,7,9,17,16/E:(1,2,3,4)(5,6,7,8)(10,11)(12,13)(16,17)/rA:17nCCCCCCCCClCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s7;s10;d11;s12;d13;d10s14;s13;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl3 |
All Atoms: | 28 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3311 |
Area: | 465.358 |
Solvation: | -1.30286 |
Coulombic: | -4.67563 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 285.595 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.58 |
LogP (Chemaxon): | 5.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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