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Chemical ID: 6487389
Chemical ID:
6487389
Name [?]:
(2-benzyl-1,3-dioxo-indan-2-yl)methyl 2-chloroacetate
SMILES [?]:
c1ccc(cc1)CC2(C(=O)c3ccccc3C2=O)COC(=O)CCl
InChi [?]:
InChI=1/C19H15ClO4/c20-11-16(21)24-12-19(10-13-6-2-1-3-7-13)17(22)14-8-4-5-9-15(14)18(19)23/h1-9H,10-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,5,12,15,7,23,19,4,11,16,21,9,17,8,24,22,10,18,20/E:(2,3)(4,5)(6,7)(8,9)(14,15)(17,18)(22,23)/rA:24nCCCCCCCCCOCCCCCCCOCOCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;d17;s8;s19;s20;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42343 |
Area: | 524.885 |
Solvation: | -3.69871 |
Coulombic: | -36.2767 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.773 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.2 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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