Chemical ID: 4160991

CC(=O)c1cccc(c1)[N+](=O)[O-]
Chemical ID:
4160991
Name [?]:
1-(3-nitrophenyl)ethanone
SMILES [?]:
CC(=O)c1cccc(c1)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,9,2,4,8,10,3,11,12/E:(11,12)/CRV:9.5/rA:12nCCOCCCCCCN+OO-/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:0.57047
Area:328.887
Solvation:-7.65172
Coulombic:-18.5334
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.146
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.63
LogP (Chemaxon):1.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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