Chemical ID: 6487389

c1ccc(cc1)CC2(C(=O)c3ccccc3C2=O)COC(=O)CCl
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

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Descriptor Annotations

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