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Chemical ID: 5871054
Chemical ID:
5871054
Name [?]:
2-chloro-4-fluoro-5-nitro-phenol
SMILES [?]:
c1c(c(cc(c1O)Cl)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C6H3ClFNO3/c7-3-1-4(8)5(9(11)12)2-6(3)10/h1-2,10H
InChi Info:
AuxInfo=1/0/N:4,1,5,3,2,6,8,9,10,7,11,12/E:(11,12)/CRV:9.5/rA:12nCCCCCCOClFN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H3ClFNO3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -1.71347 |
Area: | 321.504 |
Solvation: | -9.75108 |
Coulombic: | -26.8323 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.544 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.17 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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