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Chemical ID: 4666646
Chemical ID:
4666646
Name [?]:
(2-chloro-1,1-diphenyl-ethyl)benzene
SMILES [?]:
c1ccc(cc1)C(CCl)(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C20H17Cl/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChi Info:
AuxInfo=1/0/N:1,13,19,2,6,12,14,18,20,3,5,11,15,17,21,8,4,10,16,7,9/E:(1,2,3)(4,5,6,7,8,9)(10,11,12,13,14,15)(17,18,19)/rA:21nCCCCCCCCClCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s7;s10;d11;s12;d13;d10s14;s7;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17Cl |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1645 |
Area: | 462.8 |
Solvation: | -1.4055 |
Coulombic: | -6.99536 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.802 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.5 |
LogP (Chemaxon): | 6.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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