Chemical ID: 5789547

Cc1cc2c(cc1Cl)c(c(c(=O)o2)c3ccc(cc3)Br)C
Chemical ID:
5789547
Name [?]:
3-(4-bromophenyl)-6-chloro-4,7-dimethyl-chromen-2-one
SMILES [?]:
Cc1cc2c(cc1Cl)c(c(c(=O)o2)c3ccc(cc3)Br)C
InChi [?]:
InChI=1/C17H12BrClO2/c1-9-7-15-13(8-14(9)19)10(2)16(17(20)21-15)11-3-5-12(18)6-4-11/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,15,19,16,18,3,6,2,9,14,17,5,7,4,10,11,20,8,12,13/E:(3,4)(5,6)/rA:21nCCCCCCCClCCCOOCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s4s11;s10;s14;d15;s16;d17;d14s18;s17;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12BrClO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.2933
Area:490.064
Solvation:-1.95826
Coulombic:-21.5752
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:363.633
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.63
LogP (Chemaxon):6.04

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Descriptor Annotations

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