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Chemical ID: 6680150
Chemical ID:
6680150
Name [?]:
2-amino-3-nitro-phenol
SMILES [?]:
c1cc(c(c(c1)O)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,8,9,7,10,11/E:(10,11)/CRV:8.5/rA:11nCCCCCCONN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6N2O3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.385716 |
Area: | 296.336 |
Solvation: | -7.02268 |
Coulombic: | -44.8794 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 154.124 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.43 |
LogP (Chemaxon): | 1.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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