Chemical ID: 7218254

c1cc(c(cc1Cl)Cl)CC(C(=O)[O-])Br
Chemical ID:
7218254
Name [?]:
2-bromo-3-(2,4-dichlorophenyl)-propanoate
SMILES [?]:
c1cc(c(cc1Cl)Cl)CC(C(=O)[O-])Br
InChi [?]:
InChI=1/C9H7BrCl2O2/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7H,3H2,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:2,1,9,5,3,6,10,4,11,14,7,8,12,13/E:(13,14)/rA:14cCCCCCCClClCCCOO-Br/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6BrCl2O2-
All Atoms:20
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:-32.1203
Area:400.914
Solvation:-42.1431
Coulombic:-3.09956
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:296.952
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.0
LogP (Chemaxon):3.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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