Chemical ID: 6930547

COc1ccc(cc1)CC2CC2(Cl)Cl
Chemical ID:
6930547
Name [?]:
1-[(2,2-dichlorocyclopropyl)methyl]-4-methoxy-benzene
SMILES [?]:
COc1ccc(cc1)CC2CC2(Cl)Cl
InChi [?]:
InChI=1/C11H12Cl2O/c1-14-10-4-2-8(3-5-10)6-9-7-11(9,12)13/h2-5,9H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,9,11,6,10,3,12,13,14,2/E:(2,3)(4,5)(12,13)/rA:14cCOCCCCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s10s11;s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12Cl2O
All Atoms:26
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:8.1024
Area:411.522
Solvation:-2.18565
Coulombic:-10.2111
Bond Count [?]
All:15
Single:12
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:231.118
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.53
LogP (Chemaxon):3.49

Name Annotations

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Descriptor Annotations

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