Chemical ID: 6149965

CC(C)(C)OC(=O)CS(=O)c1ccccc1[N+](=O)[O-]
Chemical ID:
6149965
Name [?]:
tert-butyl 2-(2-nitrophenyl)sulfinylacetate
SMILES [?]:
CC(C)(C)OC(=O)CS(=O)c1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C12H15NO5S/c1-12(2,3)18-11(14)8-19(17)10-7-5-4-6-9(10)13(15)16/h4-7H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,13,15,12,8,16,11,6,2,17,7,18,19,10,5,9/E:(1,2,3)(15,16)/CRV:13.5/rA:19cCCCCOCOCSOCCCCCCN+OO-/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO5S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.41203
Area:456.733
Solvation:-8.0063
Coulombic:-33.4991
Bond Count [?]
All:19
Single:13
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:285.317
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.24
LogP (Chemaxon):1.36

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Descriptor Annotations

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