Chemical ID: 7115146

CCOC(=O)C(Cc1cccc(c1)Cl)Br
Chemical ID:
7115146
Name [?]:
ethyl 2-bromo-3-(3-chlorophenyl)-propanoate
SMILES [?]:
CCOC(=O)C(Cc1cccc(c1)Cl)Br
InChi [?]:
InChI=1/C11H12BrClO2/c1-2-15-11(14)10(12)7-8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,13,7,8,12,6,4,15,14,5,3/rA:15cCCOCOCCCCCCCCClBr/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12BrClO2
All Atoms:27
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.99299
Area:431.424
Solvation:-1.79261
Coulombic:-20.7227
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

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Descriptor Annotations

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