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Chemical ID: 6993519
Chemical ID:
6993519
Name [?]:
ethyl 2-(2-nitrophenyl)sulfonylacetate
SMILES [?]:
CCOC(=O)CS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C10H11NO6S/c1-2-17-10(12)7-18(15,16)9-6-4-3-5-8(9)11(13)14/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,11,6,15,10,4,16,5,17,18,8,9,3,7/E:(13,14)(15,16)/CRV:11.5,18.6/rA:18nCCOCOCSOOCCCCCCN+OO-/rB:s1;s2;s3;d4;s4;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO6S |
All Atoms: | 29 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.22054 |
Area: | 428.246 |
Solvation: | -9.48561 |
Coulombic: | -30.3563 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.263 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.17 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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