Chemical ID: 6529576

Cc1ccccc1[N+](=O)[O-]
Chemical ID:
6529576
Name [?]:
1-methyl-2-nitro-benzene
SMILES [?]:
Cc1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,2,7,8,9,10/E:(9,10)/CRV:8.5/rA:10nCCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7NO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:1.40247
Area:284.793
Solvation:-5.71735
Coulombic:-13.8153
Bond Count [?]
All:10
Single:6
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:137.136
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.02
LogP (Chemaxon):2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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