Chemical ID: 7517841

c1ccc(cc1)COc2ccc(cc2C#N)Cl
Chemical ID:
7517841
Name [?]:
2-benzyloxy-5-chloro-benzonitrile
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2C#N)Cl
InChi [?]:
InChI=1/C14H10ClNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,10,13,15,7,4,14,12,9,17,16,8/E:(2,3)(4,5)/rA:17nCCCCCCCOCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;t15;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClNO
All Atoms:27
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:8.30562
Area:443.91
Solvation:-2.79214
Coulombic:-13.1712
Bond Count [?]
All:18
Single:11
Double:6
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.99
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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