Chemical ID: 7115144

CCOC(=O)C(Cc1ccc(cc1)C)Br
Chemical ID:
7115144
Name [?]:
ethyl 2-bromo-3-(p-tolyl)propanoate
SMILES [?]:
CCOC(=O)C(Cc1ccc(cc1)C)Br
InChi [?]:
InChI=1/C12H15BrO2/c1-3-15-12(14)11(13)8-10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,10,12,9,13,7,11,8,6,4,15,5,3/E:(4,5)(6,7)/rA:15cCCOCOCCCCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15BrO2
All Atoms:30
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.73571
Area:419.94
Solvation:-1.7628
Coulombic:-20.3837
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.15
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.41
LogP (Chemaxon):3.55

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