Chemical ID: 7153806

c1cc(c(cc1Cl)Cl)c2cc(no2)C(=O)[O-]
Chemical ID:
7153806
Name [?]:
5-(2,4-dichlorophenyl)isoxazole-3-carboxylate
SMILES [?]:
c1cc(c(cc1Cl)Cl)c2cc(no2)C(=O)[O-]
InChi [?]:
InChI=1/C10H5Cl2NO3/c11-5-1-2-6(7(12)3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,5,10,6,3,4,11,9,14,7,8,12,15,16,13/E:(14,15)/rA:16nCCCCCCClClCCCNOCOO-/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s10;d11;s9s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H4Cl2NO3-
All Atoms:20
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-32.6305
Area:416.807
Solvation:-43.0507
Coulombic:-8.64936
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:257.049
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.99
LogP (Chemaxon):2.95

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Descriptor Annotations

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