Chemical ID: 6832351

c1cc(cc(c1)S(=O)(=O)NCC(=O)[O-])C(F)(F)F
Chemical ID:
6832351
Name [?]:
2-[3-(trifluoromethyl)phenyl]sulfonylaminoacetate
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NCC(=O)[O-])C(F)(F)F
InChi [?]:
InChI=1/C9H8F3NO4S/c10-9(11,12)6-2-1-3-7(4-6)18(16,17)13-5-8(14)15/h1-4,13H,5H2,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,4,11,3,5,12,15,16,17,18,10,13,14,8,9,7/E:(10,11,12)(14,15)(16,17)/CRV:18.6/rA:18nCCCCCCSOONCCOO-CFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s12;s3;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7F3NO4S-
All Atoms:25
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-32.1777
Area:418.682
Solvation:-42.6448
Coulombic:-32.9574
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:282.217
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.7
LogP (Chemaxon):1.35

Name Annotations

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Descriptor Annotations

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