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Chemical ID: 4116350
Chemical ID:
4116350
Name [?]:
1-benzyl-2-fluoro-benzene
SMILES [?]:
c1ccc(cc1)Cc2ccccc2F
InChi [?]:
InChI=1/C13H11F/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,10,11,3,5,9,12,7,4,8,13,14/E:(2,3)(6,7)/rA:14nCCCCCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11F |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16937 |
Area: | 349.544 |
Solvation: | -1.56923 |
Coulombic: | -7.40652 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 186.225 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.94 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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