Chemical ID: 7222098

c1cc(c(cc1CC(C(=O)[O-])Br)Cl)Cl
Chemical ID:
7222098
Name [?]:
2-bromo-3-(3,4-dichlorophenyl)-propanoate
SMILES [?]:
c1cc(c(cc1CC(C(=O)[O-])Br)Cl)Cl
InChi [?]:
InChI=1/C9H7BrCl2O2/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3H2,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,7,5,6,8,3,4,9,12,14,13,10,11/E:(13,14)/rA:14cCCCCCCCCCOO-BrClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s8;s4;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6BrCl2O2-
All Atoms:20
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:-30.8926
Area:403.199
Solvation:-40.9726
Coulombic:-4.31682
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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Descriptor Annotations

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