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Chemical ID: 4735406
Chemical ID:
4735406
Name [?]:
2-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(c(cc1C(F)(F)F)Cl)NC(=O)CBr
InChi [?]:
InChI=1/C9H6BrClF3NO/c10-4-8(16)15-7-2-1-5(3-6(7)11)9(12,13)14/h1-3H,4H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,15,6,4,3,13,7,16,11,8,9,10,12,14/E:(12,13,14)/rA:16nCCCCCCCFFFClNCOCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s3;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6BrClF3NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.22626 |
Area: | 401.179 |
Solvation: | -2.80322 |
Coulombic: | -38.5752 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.502 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.4 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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