Chemical ID: 4685633

c1ccc(cc1)C(=O)C[N+](=O)[O-]
Chemical ID:
4685633
Name [?]:
2-nitro-1-phenyl-ethanone
SMILES [?]:
c1ccc(cc1)C(=O)C[N+](=O)[O-]
InChi [?]:
InChI=1/C8H7NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,4,7,10,8,11,12/E:(2,3)(4,5)(11,12)/CRV:9.5/rA:12nCCCCCCCOCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-1.61812
Area:326.327
Solvation:-9.7763
Coulombic:-15.335
Bond Count [?]
All:12
Single:7
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.146
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.62
LogP (Chemaxon):1.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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