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Chemical ID: 6690131
Chemical ID:
6690131
Name [?]:
ethyl 3-(2-bromophenyl)-3-oxo-propanoate
SMILES [?]:
CCOC(=O)CC(=O)c1ccccc1Br
InChi [?]:
InChI=1/C11H11BrO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,10,13,6,9,14,7,4,15,8,5,3/rA:15nCCOCOCCOCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11BrO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.03076 |
Area: | 399.514 |
Solvation: | -3.9571 |
Coulombic: | -24.1272 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 271.107 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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