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Chemical ID: 6501030
Chemical ID:
6501030
Name [?]:
6,8-dibromo-2-phenyl-chroman-4-one
SMILES [?]:
c1ccc(cc1)C2CC(=O)c3cc(cc(c3O2)Br)Br
InChi [?]:
InChI=1/C15H10Br2O2/c16-10-6-11-13(18)8-14(9-4-2-1-3-5-9)19-15(11)12(17)7-10/h1-7,14H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,14,8,4,13,11,15,9,7,16,19,18,10,17/E:(2,3)(4,5)/rA:19cCCCCCCCCCOCCCCCCOBrBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Br2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.99579 |
Area: | 457.329 |
Solvation: | -2.43745 |
Coulombic: | -17.481 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 382.047 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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