Chemical ID: 5522671

Cc1ccc(cc1)COc2ccc(cc2C#N)Cl
Chemical ID:
5522671
Name [?]:
5-chloro-2-(p-tolylmethoxy)benzonitrile
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2C#N)Cl
InChi [?]:
InChI=1/C15H12ClNO/c1-11-2-4-12(5-3-11)10-18-15-7-6-14(16)8-13(15)9-17/h2-8H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,12,11,14,16,8,2,5,15,13,10,18,17,9/E:(2,3)(4,5)/rA:18nCCCCCCCCOCCCCCCCNCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;t16;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.87134
Area:467.519
Solvation:-2.81663
Coulombic:-12.9138
Bond Count [?]
All:19
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:257.715
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.43
LogP (Chemaxon):4.37

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