Chemical ID: 5645494

c1cc(cc(c1)Br)C(=O)C=Cc2cccc(c2Cl)Cl
Chemical ID:
5645494
Name [?]:
1-(3-bromophenyl)-3-(2,3-dichlorophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(cc(c1)Br)C(=O)C=Cc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C15H9BrCl2O/c16-12-5-1-4-11(9-12)14(19)8-7-10-3-2-6-13(17)15(10)18/h1-9H
InChi Info:
AuxInfo=1/0/N:1,14,13,2,6,15,11,10,4,12,3,5,16,8,17,7,19,18,9/rA:19nCCCCCCBrCOCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9BrCl2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.1666
Area:477.701
Solvation:-1.77595
Coulombic:-12.2082
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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