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Chemical ID: 7066443
Chemical ID:
7066443
Name [?]:
2-chloro-4-(2-chloro-1,1-dimethyl-ethyl)-1-ethoxy-benzene
SMILES [?]:
CCOc1ccc(cc1Cl)C(C)(C)CCl
InChi [?]:
InChI=1/C12H16Cl2O/c1-4-15-11-6-5-9(7-10(11)14)12(2,3)8-13/h5-7H,4,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,13,2,6,5,8,14,7,9,4,11,15,10,3/E:(2,3)/rA:15nCCOCCCCCCClCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;s11;s11;s11;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16Cl2O |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50815 |
Area: | 426.77 |
Solvation: | -2.16109 |
Coulombic: | -10.2394 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.16 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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