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Chemical ID: 4260876
Chemical ID:
4260876
Name [?]:
2-methyl-3-nitro-aniline
SMILES [?]:
Cc1c(cccc1[N+](=O)[O-])N
InChi [?]:
InChI=1/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,6,2,3,7,11,8,9,10/E:(10,11)/CRV:9.5/rA:11nCCCCCCCN+OO-N/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s3;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8N2O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.64131 |
Area: | 300.523 |
Solvation: | -5.87176 |
Coulombic: | -29.0397 |
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: | 1.2 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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