Chemical ID: 6501030

c1ccc(cc1)C2CC(=O)c3cc(cc(c3O2)Br)Br
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

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