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Chemical ID: 5093704
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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