Chemical ID: 6503951

c1ccc(c(c1)C2CC2)[N+](=O)[O-]
Chemical ID:
6503951
Name [?]:
1-cyclopropyl-2-nitro-benzene
SMILES [?]:
c1ccc(c(c1)C2CC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H9NO2/c11-10(12)9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,9,7,5,4,10,11,12/E:(5,6)(11,12)/CRV:10.5/rA:12nCCCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s7s8;s4;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:2.37232
Area:318.956
Solvation:-5.60159
Coulombic:-14.0303
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:163.173
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.64
LogP (Chemaxon):2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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