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Chemical ID: 4990070
Chemical ID:
4990070
Name [?]:
1-benzyloxy-2,4-dichloro-benzene
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C13H10Cl2O/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,10,13,7,4,12,14,9,16,15,8/E:(2,3)(4,5)/rA:16nCCCCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10Cl2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57789 |
Area: | 435.727 |
Solvation: | -2.31529 |
Coulombic: | -10.7609 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 253.123 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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