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Chemical ID: 4117207
Chemical ID:
4117207
Name [?]:
1-methoxy-3-(trifluoromethoxy)benzene
SMILES [?]:
COc1cccc(c1)OC(F)(F)F
InChi [?]:
InChI=1/C8H7F3O2/c1-12-6-3-2-4-7(5-6)13-8(9,10)11/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,6,8,3,7,10,11,12,13,2,9/E:(9,10,11)/rA:13nCOCCCCCCOCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7F3O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.63505 |
Area: | 312.205 |
Solvation: | -2.17008 |
Coulombic: | -39.9817 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.135 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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