Chemical ID: 4120050

Cc1c(cccc1F)[N+](=O)[O-]
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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