Chemical ID: 4117075

c1cc(c(cc1F)F)C#N
Chemical ID:
4117075
Name [?]:
2,4-difluorobenzonitrile
SMILES [?]:
c1cc(c(cc1F)F)C#N
InChi [?]:
InChI=1/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChi Info:
AuxInfo=1/0/N:2,1,5,9,3,6,4,7,8,10/rA:10nCCCCCCFFCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H3F2N
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:3.96477
Area:274.11
Solvation:-2.88797
Coulombic:-9.67992
Bond Count [?]
All:10
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:139.102
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.07
LogP (Chemaxon):2.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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