Chemical ID: 4736325

CCOC(=O)C(C)(c1ccccc1)Br
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

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