Chemical ID: 7115149

CCOC(=O)C(Cc1ccc(cc1)F)Br
Chemical ID:
7115149
Name [?]:
ethyl 2-bromo-3-(4-fluorophenyl)-propanoate
SMILES [?]:
CCOC(=O)C(Cc1ccc(cc1)F)Br
InChi [?]:
InChI=1/C11H12BrFO2/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:15cCCOCOCCCCCCCCFBr/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s11;s6;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12BrFO2
All Atoms:27
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.44085
Area:403.845
Solvation:-2.65527
Coulombic:-23.6032
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.114
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.14
LogP (Chemaxon):3.22

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