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Chemical ID: 3964446
Chemical ID:
3964446
Name [?]:
4-fluoro-2-isopropoxy-aniline
SMILES [?]:
CC(C)Oc1cc(ccc1N)F
InChi [?]:
InChI=1/C9H12FNO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,6,2,7,10,5,12,11,4/E:(1,2)/rA:12nCCCOCCCCCCNF/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s7;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12FNO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.55179 |
Area: | 324.376 |
Solvation: | -2.5576 |
Coulombic: | -27.924 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 169.196 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.16 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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