Chemical ID: 7118575

c1ccc(c(c1)CC(=O)[O-])[N+](=O)[O-]
Chemical ID:
7118575
Name [?]:
2-(2-nitrophenyl)acetate
SMILES [?]:
c1ccc(c(c1)CC(=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C8H7NO4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,8,11,9,10,12,13/E:(10,11)(12,13)/CRV:9.5/rA:13nCCCCCCCCOO-N+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6NO4-
All Atoms:19
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-37.2395
Area:325.975
Solvation:-45.3888
Coulombic:-15.2324
Bond Count [?]
All:13
Single:8
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:180.138
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.74
LogP (Chemaxon):1.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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