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Chemical ID: 6670432
Chemical ID:
6670432
Name [?]:
1-(2,4-dichlorophenyl)propan-1-one
SMILES [?]:
CCC(=O)c1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C9H8Cl2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,9,8,5,10,3,12,11,4/rA:12nCCCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8Cl2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.96491 |
Area: | 357.802 |
Solvation: | -1.98014 |
Coulombic: | -8.61497 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 203.065 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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