Chemical ID: 5175042

COS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Chemical ID:
5175042
Name [?]:
1-chloro-4-methoxysulfonyl-2-nitro-benzene
SMILES [?]:
COS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C7H6ClNO5S/c1-14-15(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,11,6,9,10,15,12,13,14,4,5,2,3/E:(10,11)(12,13)/CRV:9.5,15.6/rA:15nCOSOOCCCCCCN+OO-Cl/rB:s1;s2;d3;d3;s3;s6;d7;s8;d9;d6s10;s10;d12;s12;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6ClNO5S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:0.864535
Area:382.874
Solvation:-8.70731
Coulombic:-15.631
Bond Count [?]
All:15
Single:9
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.645
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.46
LogP (Chemaxon):2.05

Name Annotations

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Descriptor Annotations

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