Chemical ID: 3969820

CC(=O)c1ccc(cc1Cl)Cl
Chemical ID:
3969820
Name [?]:
1-(2,4-dichlorophenyl)ethanone
SMILES [?]:
CC(=O)c1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,8,2,7,4,9,11,10,3/rA:11nCCOCCCCCCClCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s7;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6Cl2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.29599
Area:333.645
Solvation:-2.04514
Coulombic:-8.05582
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:189.038
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.11
LogP (Chemaxon):2.39

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Descriptor Annotations

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