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Chemical ID: 4898934
Chemical ID:
4898934
Name [?]:
[2-[(2,6-dichlorophenyl)methylene]-3-oxo-benzofuran-6-yl] cyclopropanecarboxylate
SMILES [?]:
c1cc(c(c(c1)Cl)C=C2C(=O)c3ccc(cc3O2)OC(=O)C4CC4)Cl
InChi [?]:
InChI=1/C19H12Cl2O4/c20-14-2-1-3-15(21)13(14)9-17-18(22)12-7-6-11(8-16(12)25-17)24-19(23)10-4-5-10/h1-3,6-10H,4-5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,24,14,13,16,8,22,15,12,4,3,5,17,9,10,20,25,7,11,21,19,18/E:(2,3)(4,5)(14,15)(20,21)/rA:25nCCCCCCClCCCOCCCCCCOOCOCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;d20;s20;s22;s22s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12Cl2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1426 |
Area: | 553.818 |
Solvation: | -2.70287 |
Coulombic: | -36.9986 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 375.202 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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