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Chemical ID: 4255005
Chemical ID:
4255005
Name [?]:
2-[2-(4-bromophenyl)-2-oxo-ethoxy]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)N)OCC(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C15H12BrNO3/c16-11-7-5-10(6-8-11)13(18)9-20-14-4-2-1-3-12(14)15(17)19/h1-8H,9H2,(H2,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,19,16,18,11,14,17,5,12,4,7,20,9,13,8,10/E:(5,6)(7,8)/rA:20nCCCCCCCONOCCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12BrNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.01457 |
Area: | 479.696 |
Solvation: | -5.97784 |
Coulombic: | -40.5514 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.165 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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