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Chemical ID: 4118657
Chemical ID:
4118657
Name [?]:
3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl chloride
SMILES [?]:
COC(c1ccccc1)(C(=O)Cl)C(F)(F)F
InChi [?]:
InChI=1/C10H8ClF3O2/c1-16-9(8(11)15,10(12,13)14)7-5-3-2-4-6-7/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,9,4,10,3,13,12,14,15,16,11,2/E:(3,4)(5,6)(12,13,14)/rA:16cCOCCCCCCCCOClCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s3;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8ClF3O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.23204 |
Area: | 363.437 |
Solvation: | -1.85389 |
Coulombic: | -40.7867 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 252.617 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.15 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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