Chemical ID: 4735406

c1cc(c(cc1C(F)(F)F)Cl)NC(=O)CBr
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

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