Chemical ID: 5617176

c1cc(cc(c1)Br)Oc2ccc(cc2C#N)[N+](=O)[O-]
Chemical ID:
5617176
Name [?]:
2-(3-bromophenoxy)-5-nitro-benzonitrile
SMILES [?]:
c1cc(cc(c1)Br)Oc2ccc(cc2C#N)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H7BrN2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.37399
Area:456.759
Solvation:-8.04498
Coulombic:-21.1508
Bond Count [?]
All:20
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:319.11
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.79
LogP (Chemaxon):4.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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