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Chemical ID: 4120050
Chemical ID:
4120050
Name [?]:
1-fluoro-2-methyl-3-nitro-benzene
SMILES [?]:
Cc1c(cccc1F)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H6FNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,2,7,3,8,9,10,11/E:(10,11)/CRV:9.5/rA:11nCCCCCCCFN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6FNO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.589931 |
Area: | 289.238 |
Solvation: | -6.64101 |
Coulombic: | -15.1905 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 155.126 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.18 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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