Chemical ID: 4116938

c1cc(c(c(c1[N+](=O)[O-])F)C#N)F
Chemical ID:
4116938
Name [?]:
2,6-difluoro-3-nitro-benzonitrile
SMILES [?]:
c1cc(c(c(c1[N+](=O)[O-])F)C#N)F
InChi [?]:
InChI=1/C7H2F2N2O2/c8-5-1-2-6(11(12)13)7(9)4(5)3-10/h1-2H
InChi Info:
AuxInfo=1/0/N:2,1,11,4,3,6,5,13,10,12,7,8,9/E:(12,13)/CRV:11.5/rA:13nCCCCCCN+OO-FCNF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s5;s4;t11;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H2F2N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-2.8266
Area:320.503
Solvation:-10.8392
Coulombic:-15.2879
Bond Count [?]
All:13
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:184.1
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.84
LogP (Chemaxon):2.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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