Chemical ID: 6668340

Cc1ccc(c(c1)Br)OCC(=O)c2ccccc2
Chemical ID:
6668340
Name [?]:
2-(2-bromo-4-methyl-phenoxy)-1-phenyl-ethanone
SMILES [?]:
Cc1ccc(c(c1)Br)OCC(=O)c2ccccc2
InChi [?]:
InChI=1/C15H13BrO2/c1-11-7-8-15(13(16)9-11)18-10-14(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,3,4,7,10,2,13,6,11,5,8,12,9/E:(3,4)(5,6)/rA:18nCCCCCCCBrOCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.30105
Area:451.688
Solvation:-3.99114
Coulombic:-17.1511
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:305.167
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.5
LogP (Chemaxon):4.12

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