Chemical ID: 6690131

CCOC(=O)CC(=O)c1ccccc1Br
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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