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Chemical ID: 6428342
Chemical ID:
6428342
Name [?]:
None
SMILES [?]:
C1C2C(C2(Cl)Cl)CC3=CC=CC=C1C3
InChi [?]:
InChI=1/C12H12Cl2/c13-12(14)10-6-8-3-1-2-4-9(5-8)7-11(10)12/h1-4,10-11H,5-7H2
InChi Info:
AuxInfo=1/0/N:10,11,9,12,14,7,1,8,13,3,2,4,5,6/E:(1,2)(3,4)(6,7)(8,9)(10,11)(13,14)/rA:14cCCCCClClCCCCCCCC/rB:s1;s2;s2s3;s4;s4;s3;s7;d8;s9;d10;s11;s1d12;s8s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12Cl2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.51113 |
Area: | 364.995 |
Solvation: | -0.613748 |
Coulombic: | -4.13822 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 227.129 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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