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Chemical ID: 4117455
Chemical ID:
4117455
Name [?]:
N-(2-chloro-4-fluoro-phenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1Cl)F
InChi [?]:
InChI=1/C8H7ClFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,6,9,2,8,10,5,11,12,4,3/rA:12nCCONCCCCCCClF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7ClFNO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.90607 |
Area: | 332.357 |
Solvation: | -2.40286 |
Coulombic: | -23.2629 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 187.598 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.06 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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