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Chemical ID: 4260875
Chemical ID:
4260875
Name [?]:
2-methyl-6-nitro-aniline
SMILES [?]:
Cc1cccc(c1N)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,2,6,7,8,9,10,11/E:(10,11)/CRV:9.5/rA:11nCCCCCCCNN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8N2O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.59431 |
Area: | 300.212 |
Solvation: | -5.91099 |
Coulombic: | -30.212 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 152.151 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.84 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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