Chemical ID: 7210568

c1c(cc(c(c1[N+](=O)[O-])C(=O)[O-])Br)C(=O)[O-]
Chemical ID:
7210568
Name [?]:
2-bromo-6-nitro-terephthalate
SMILES [?]:
c1c(cc(c(c1[N+](=O)[O-])C(=O)[O-])Br)C(=O)[O-]
InChi [?]:
InChI=1/C8H4BrNO6/c9-4-1-3(7(11)12)2-5(10(15)16)6(4)8(13)14/h1-2H,(H,11,12)(H,13,14)/p-2
InChi Info:
AuxInfo=1/1/N:3,1,2,4,6,5,14,10,13,7,15,16,11,12,8,9/E:(11,12)(13,14)(15,16)/CRV:10.5/rA:16nCCCCCCN+OO-COO-BrCOO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s5;d10;s10;s4;s2;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H2BrNO6-2
All Atoms:18
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-98.6118
Area:376.575
Solvation:-108.026
Coulombic:11.2692
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.009
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:0.86
LogP (Chemaxon):1.82

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Descriptor Annotations

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