Chemical ID: 7066443

CCOc1ccc(cc1Cl)C(C)(C)CCl
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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