Chemical ID: 6175750

c1ccc(c(c1)C=CC(=O)c2ccc(cc2)Br)Cl
Chemical ID:
6175750
Name [?]:
1-(4-bromophenyl)-3-(2-chlorophenyl)-prop-2-en-1-one
SMILES [?]:
c1ccc(c(c1)C=CC(=O)c2ccc(cc2)Br)Cl
InChi [?]:
InChI=1/C15H10BrClO/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,16,7,13,15,8,5,11,14,4,9,17,18,10/E:(5,6)(8,9)/rA:18nCCCCCCCCCOCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrClO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.44575
Area:451.913
Solvation:-1.85208
Coulombic:-12.0003
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:321.596
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.27
LogP (Chemaxon):5.32

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Descriptor Annotations

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