Chemical ID: 4671963

COc1cc(c(cc1CCl)OC)CCl
Chemical ID:
4671963
Name [?]:
1,4-bis(chloromethyl)-2,5-dimethoxy-benzene
SMILES [?]:
COc1cc(c(cc1CCl)OC)CCl
InChi [?]:
InChI=1/C10H12Cl2O2/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-4H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,4,7,9,13,8,5,3,6,10,14,2,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCOCCCCCCCClOCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s5;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12Cl2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.56054
Area:405.411
Solvation:-3.57475
Coulombic:-15.2842
Bond Count [?]
All:14
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.106
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.78
LogP (Chemaxon):2.76

Name Annotations

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Descriptor Annotations

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