Chemical ID: 6993519

CCOC(=O)CS(=O)(=O)c1ccccc1[N+](=O)[O-]
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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