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Chemical ID: 6681789
Chemical ID:
6681789
Name [?]:
2-(2-nitrophenyl)ethanol
SMILES [?]:
c1ccc(c(c1)CCO)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,5,4,10,9,11,12/E:(11,12)/CRV:9.5/rA:12nCCCCCCCCON+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9NO3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.05664 |
Area: | 320.993 |
Solvation: | -6.9682 |
Coulombic: | -29.659 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 167.162 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.14 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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