Chemical ID: 5191847

c1ccc(cc1)COc2c(cc(cc2Cl)C#N)Cl
Chemical ID:
5191847
Name [?]:
4-benzyloxy-3,5-dichloro-benzonitrile
SMILES [?]:
c1ccc(cc1)COc2c(cc(cc2Cl)C#N)Cl
InChi [?]:
InChI=1/C14H9Cl2NO/c15-12-6-11(8-17)7-13(16)14(12)18-9-10-4-2-1-3-5-10/h1-7H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,13,16,7,4,12,10,14,9,18,15,17,8/E:(2,3)(4,5)(6,7)(12,13)(15,16)/rA:18nCCCCCCCOCCCCCCClCNCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;t16;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9Cl2NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.80893
Area:460.73
Solvation:-2.70932
Coulombic:-13.3519
Bond Count [?]
All:19
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:278.133
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.61
LogP (Chemaxon):4.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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