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Chemical ID: 4734315
Chemical ID:
4734315
Name [?]:
2-chloro-N-(2-cyano-3-fluoro-phenyl)-acetamide
SMILES [?]:
c1cc(c(c(c1)F)C#N)NC(=O)CCl
InChi [?]:
InChI=1/C9H6ClFN2O/c10-4-9(14)13-8-3-1-2-7(11)6(8)5-12/h1-3H,4H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,2,13,8,4,5,3,11,14,7,9,10,12/rA:14nCCCCCCFCNNCOCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;t8;s3;s10;d11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6ClFN2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.01057 |
Area: | 373.842 |
Solvation: | -3.33549 |
Coulombic: | -26.5632 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.608 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.83 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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