Chemical ID: 3964450

c1cc(c(cc1[N+](=O)[O-])C#N)Cl
Chemical ID:
3964450
Name [?]:
2-chloro-5-nitro-benzonitrile
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])C#N)Cl
InChi [?]:
InChI=1/C7H3ClN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H
InChi Info:
AuxInfo=1/0/N:1,2,5,10,4,6,3,12,11,7,8,9/E:(11,12)/CRV:10.5/rA:12nCCCCCCN+OO-CNCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;t10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H3ClN2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:1.29079
Area:341.034
Solvation:-7.23506
Coulombic:-13.1146
Bond Count [?]
All:12
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:182.564
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.14
LogP (Chemaxon):2.33

Name Annotations

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Descriptor Annotations

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