Chemical ID: 4116838

Cc1cccc(c1)F
Chemical ID:
4116838
Name [?]:
1-fluoro-3-methyl-benzene
SMILES [?]:
Cc1cccc(c1)F
InChi [?]:
InChI=1/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,7,2,6,8/rA:8nCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7F
All Atoms:8
Heavy Atoms:8
Chiral Atoms:0
ZAP Information [?]
Total:4.91683
Area:247.527
Solvation:-1.27134
Coulombic:-5.37756
Bond Count [?]
All:8
Single:5
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:110.129
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.62
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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