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Chemical ID: 6357601
Chemical ID:
6357601
Name [?]:
N-(3,4-dichlorophenyl)-2,3,4,5,6-pentafluoro-benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)c2c(c(c(c(c2F)F)F)F)F)Cl)Cl
InChi [?]:
InChI=1/C13H4Cl2F5NO/c14-5-2-1-4(3-6(5)15)21-13(22)7-8(16)10(18)12(20)11(19)9(7)17/h1-3H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,10,11,15,12,14,13,8,22,21,20,16,19,17,18,7,9/E:(8,9)(10,11)(16,17)(18,19)/rA:22nCCCCCCNCOCCCCCCFFFFFClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s14;s13;s12;s11;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H4Cl2F5NO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.88104 |
Area: | 471.789 |
Solvation: | -6.91368 |
Coulombic: | -33.1393 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 356.074 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.04 |
LogP (Chemaxon): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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