Chemical ID: 4990070

c1ccc(cc1)COc2ccc(cc2Cl)Cl
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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