Chemical ID: 7530483

c1cc(cc(c1)Br)COc2cccc(c2)C#N
Chemical ID:
7530483
Name [?]:
3-[(3-bromophenyl)methoxy]benzonitrile
SMILES [?]:
c1cc(cc(c1)Br)COc2cccc(c2)C#N
InChi [?]:
InChI=1/C14H10BrNO/c15-13-5-1-4-12(7-13)10-17-14-6-2-3-11(8-14)9-16/h1-8H,10H2
InChi Info:
AuxInfo=1/0/N:1,12,13,2,6,11,4,15,16,8,14,3,5,10,7,17,9/rA:17nCCCCCCBrCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s14;t16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10BrNO
All Atoms:27
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:8.61008
Area:444.121
Solvation:-2.49294
Coulombic:-13.0588
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:4.17
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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