Chemical ID: 7088663

CC(CC(=O)c1ccc(c(c1)Cl)Cl)CC(=O)O
Chemical ID:
7088663
Name [?]:
5-(3,4-dichlorophenyl)-3-methyl-5-oxo-pentanoic acid
SMILES [?]:
CC(CC(=O)c1ccc(c(c1)Cl)Cl)CC(=O)O
InChi [?]:
InChI=1/C12H12Cl2O3/c1-7(5-12(16)17)4-11(15)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,7,8,3,14,11,2,6,9,10,4,15,13,12,5,16,17/E:(16,17)/rA:17cCCCCOCCCCCCClClCCOO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s9;s2;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12Cl2O3
All Atoms:29
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.05684
Area:456.874
Solvation:-3.36502
Coulombic:-34.19
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.127
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.34
LogP (Chemaxon):2.91

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Descriptor Annotations

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