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Chemical ID: 6542551
Chemical ID:
6542551
Name [?]:
ethyl 2-bromo-3-(4-chlorophenyl)-propanoate
SMILES [?]:
CCOC(=O)C(Cc1ccc(cc1)Cl)Br
InChi [?]:
InChI=1/C11H12BrClO2/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,13,10,12,7,8,11,6,4,15,14,5,3/E:(3,4)(5,6)/rA:15cCCOCOCCCCCCCCClBr/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12BrClO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.04082 |
Area: | 432.349 |
Solvation: | -1.76791 |
Coulombic: | -20.7386 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.568 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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