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Chemical ID: 4736325
Chemical ID:
4736325
Name [?]:
ethyl 2-bromo-2-phenyl-propanoate
SMILES [?]:
CCOC(=O)C(C)(c1ccccc1)Br
InChi [?]:
InChI=1/C11H13BrO2/c1-3-14-10(13)11(2,12)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,11,10,12,9,13,8,4,6,14,5,3/E:(5,6)(7,8)/rA:14cCCOCOCCCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s10;d11;d8s12;s6;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13BrO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.96994 |
Area: | 384.421 |
Solvation: | -1.64059 |
Coulombic: | -21.794 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 257.124 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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