Chemical ID: 5821797

COC(=O)c1cccc(c1)COc2ccc(cc2)Br
Chemical ID:
5821797
Name [?]:
methyl 3-[(4-bromophenoxy)methyl]benzoate
SMILES [?]:
COC(=O)c1cccc(c1)COc2ccc(cc2)Br
InChi [?]:
InChI=1/C15H13BrO3/c1-18-15(17)12-4-2-3-11(9-12)10-19-14-7-5-13(16)6-8-14/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,15,17,14,18,10,11,9,5,16,13,3,19,4,2,12/E:(5,6)(7,8)/rA:19nCOCOCCCCCCCOCCCCCCBr/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.97764
Area:480.099
Solvation:-3.02483
Coulombic:-29.3773
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.166
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):3.91

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