Chemical ID: 6687589

C#Cc1ccccc1F
Chemical ID:
6687589
Name [?]:
1-ethynyl-2-fluoro-benzene
SMILES [?]:
C#Cc1ccccc1F
InChi [?]:
InChI=1/C8H5F/c1-2-7-5-3-4-6-8(7)9/h1,3-6H
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,7,3,8,9/rA:9nCCCCCCCCF/rB:t1;s2;s3;d4;s5;d6;d3s7;s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5F
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.125
Area:269.455
Solvation:-1.61137
Coulombic:-7.50388
Bond Count [?]
All:9
Single:5
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:120.124
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.68
LogP (Chemaxon):2.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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