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Chemical ID: 6603954
Chemical ID:
6603954
Name [?]:
ethyl 4-(2-chloroacetyl)piperazine-1-carboxylate
SMILES [?]:
CCOC(=O)N1CCN(CC1)C(=O)CCl
InChi [?]:
InChI=1/C9H15ClN2O3/c1-2-15-9(14)12-5-3-11(4-6-12)8(13)7-10/h2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,10,7,11,14,12,4,15,9,6,13,5,3/E:(3,4)(5,6)/rA:15nCCOCONCCNCCCOCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15ClN2O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.11423 |
Area: | 416.462 |
Solvation: | -3.29731 |
Coulombic: | -43.9542 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 234.68 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 0.12 |
LogP (Chemaxon): | 0.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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