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Chemical ID: 6175750
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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