Chemical ID: 4431759

CC(=O)c1ccccc1OCC(=O)c2ccc(cc2)Br
Chemical ID:
4431759
Name [?]:
1-[2-[2-(4-bromophenyl)-2-oxo-ethoxy]phenyl]ethanone
SMILES [?]:
CC(=O)c1ccccc1OCC(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C16H13BrO3/c1-11(18)14-4-2-3-5-16(14)20-10-15(19)12-6-8-13(17)9-7-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,8,15,19,16,18,11,2,14,17,4,12,9,20,3,13,10/E:(6,7)(8,9)/rA:20nCCOCCCCCCOCCOCCCCCCBr/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.81361
Area:483.526
Solvation:-6.27454
Coulombic:-21.8108
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.177
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.9
LogP (Chemaxon):2.96

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