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Chemical ID: 6693953
Chemical ID:
6693953
Name [?]:
5-nitro-2-propoxy-aniline
SMILES [?]:
CCCOc1ccc(cc1N)N(=O)=O
InChi [?]:
InChI=1/C9H12N2O3/c1-2-5-14-9-4-3-7(11(12)13)6-8(9)10/h3-4,6H,2,5,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,3,9,8,10,5,11,12,13,14,4/E:(12,13)/CRV:11.5/rA:14nCCCOCCCCCCNNOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s8;d12;d12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.95596 |
Area: | 379.546 |
Solvation: | -7.5327 |
Coulombic: | -35.0586 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 196.203 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.79 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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