Chemical ID: 5654786

c1cc(cc(c1)Br)C(=O)C=Cc2c(cccc2Cl)Cl
Chemical ID:
5654786
Name [?]:
1-(3-bromophenyl)-3-(2,6-dichlorophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(cc(c1)Br)C(=O)C=Cc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C15H9BrCl2O/c16-11-4-1-3-10(9-11)15(19)8-7-12-13(17)5-2-6-14(12)18/h1-9H
InChi Info:
AuxInfo=1/0/N:1,15,2,6,14,16,11,10,4,3,5,12,13,17,8,7,19,18,9/E:(5,6)(13,14)(17,18)/rA:19nCCCCCCBrCOCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9BrCl2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.0388
Area:471.237
Solvation:-1.74213
Coulombic:-12.2436
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

Name Annotations

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Descriptor Annotations

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