Chemical ID: 5093704

Cc1ccc(c(c1)[N+](=O)[O-])F
Chemical ID:
5093704
Name [?]:
1-fluoro-4-methyl-2-nitro-benzene
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])F
InChi [?]:
InChI=1/C7H6FNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,2,5,6,11,8,9,10/E:(10,11)/CRV:9.5/rA:11nCCCCCCCN+OO-F/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6FNO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-0.855453
Area:294.116
Solvation:-8.20836
Coulombic:-14.4918
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:2.39
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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