Chemical ID: 5823010

c1cc(c(c(c1)Cl)C=CC(=O)c2ccc(cc2)Br)Cl
Chemical ID:
5823010
Name [?]:
1-(4-bromophenyl)-3-(2,6-dichlorophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(c(c(c1)Cl)C=CC(=O)c2ccc(cc2)Br)Cl
InChi [?]:
InChI=1/C15H9BrCl2O/c16-11-6-4-10(5-7-11)15(19)9-8-12-13(17)2-1-3-14(12)18/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,17,14,16,8,9,12,15,4,3,5,10,18,19,7,11/E:(2,3)(4,5)(6,7)(13,14)(17,18)/rA:19nCCCCCCClCCCOCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s5;s4;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9BrCl2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.96808
Area:469.444
Solvation:-1.76803
Coulombic:-12.2795
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:356.041
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.89
LogP (Chemaxon):5.84

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Descriptor Annotations

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