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Chemical ID: 4919423
Chemical ID:
4919423
Name [?]:
3-(3-bromophenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2cccc(c2)Br
InChi [?]:
InChI=1/C15H11BrO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,12,3,5,14,10,9,16,11,4,15,7,17,8/E:(2,3)(6,7)/rA:17nCCCCCCCOCCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11BrO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60885 |
Area: | 421.372 |
Solvation: | -1.92545 |
Coulombic: | -11.7049 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 287.151 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.65 |
LogP (Chemaxon): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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