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Chemical ID: 6832351
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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Experimental Annotations
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Descriptor Annotations
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