Chemical ID: 4729881

CC(=O)C=Cc1c(cccc1Cl)Cl
Chemical ID:
4729881
Name [?]:
4-(2,6-dichlorophenyl)but-3-en-2-one
SMILES [?]:
CC(=O)C=Cc1c(cccc1Cl)Cl
InChi [?]:
InChI=1/C10H8Cl2O/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,4,5,2,6,7,11,13,12,3/E:(3,4)(9,10)(11,12)/rA:13nCCOCCCCCCCCClCl/rB:s1;d2;s2;w4;s5;s6;d7;s8;d9;d6s10;s11;s7;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8Cl2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.08746
Area:355.632
Solvation:-1.80334
Coulombic:-9.30793
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:215.075
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.38
LogP (Chemaxon):3.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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