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Chemical ID: 4671963
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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Experimental Annotations
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Descriptor Annotations
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