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Chemical ID: 6562672
Chemical ID:
6562672
Name [?]:
ethyl 4-[2-(2-bromobenzoyl)oxyacetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C18H16BrNO5/c1-2-24-17(22)12-7-9-13(10-8-12)20-16(21)11-25-18(23)14-5-3-4-6-15(14)19/h3-10H,2,11H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,23,7,11,8,10,15,6,9,19,24,13,4,17,25,12,14,5,18,3,16/E:(7,8)(9,10)/rA:25nCCOCOCCCCCCNCOCOCOCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16BrNO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7103 |
Area: | 587.873 |
Solvation: | -3.98653 |
Coulombic: | -61.0578 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 406.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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