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Chemical ID: 4663928
Chemical ID:
4663928
Name [?]:
(4-fluorophenyl)-trimethyl-ammonium
SMILES [?]:
C[N+](C)(C)c1ccc(cc1)F
InChi [?]:
InChI=1/C9H13FN/c1-11(2,3)9-6-4-8(10)5-7-9/h4-7H,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,4,7,9,6,10,8,5,11,2/E:(1,2,3)(4,5)(6,7)/CRV:11+1/rA:11nCN+CCCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13FN+ |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.4077 |
Area: | 300.852 |
Solvation: | -30.929 |
Coulombic: | 22.6159 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 154.205 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.52 |
LogP (Chemaxon): | -2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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