Chemical ID: 5871054

c1c(c(cc(c1O)Cl)F)[N+](=O)[O-]
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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