Chemical ID: 6530639

c1cc(c(cc1NC(=O)CCl)C(F)(F)F)[N+](=O)[O-]
Chemical ID:
6530639
Name [?]:
2-chloro-N-[4-nitro-3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(c(cc1NC(=O)CCl)C(F)(F)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H6ClF3N2O3/c10-4-8(16)14-5-1-2-7(15(17)18)6(3-5)9(11,12)13/h1-3H,4H2,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,5,10,6,4,3,8,12,11,13,14,15,7,16,9,17,18/E:(11,12,13)(17,18)/CRV:15.5/rA:18nCCCCCCNCOCClCFFFN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s4;s12;s12;s12;s3;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6ClF3N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:0.333846
Area:409.593
Solvation:-9.90598
Coulombic:-45.0737
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:282.604
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.21
LogP (Chemaxon):2.8

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