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Chemical ID: 4195701
Chemical ID:
4195701
Name [?]:
2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILES [?]:
c1ccc(c(c1)c2cc([nH]n2)C(F)(F)F)O
InChi [?]:
InChI=1/C10H7F3N2O/c11-10(12,13)9-5-7(14-15-9)6-3-1-2-4-8(6)16/h1-5,16H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,7,4,9,12,13,14,15,11,10,16/E:(11,12,13)/rA:16nCCCCCCCCCNNCFFFO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d7s10;s9;s12;s12;s12;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7F3N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.68469 |
Area: | 361.795 |
Solvation: | -3.3602 |
Coulombic: | -44.9857 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 228.171 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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