Chemical ID: 7508134

Cc1ccc(cc1Br)C(=O)Oc2cccc(c2)C(=O)OC
Chemical ID:
7508134
Name [?]:
(3-methoxycarbonylphenyl) 3-bromo-4-methyl-benzoate
SMILES [?]:
Cc1ccc(cc1Br)C(=O)Oc2cccc(c2)C(=O)OC
InChi [?]:
InChI=1/C16H13BrO4/c1-10-6-7-12(9-14(10)17)16(19)21-13-5-3-4-11(8-13)15(18)20-2/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,14,15,13,3,4,17,6,2,16,5,12,7,18,9,8,19,10,20,11/rA:21nCCCCCCCBrCOOCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrO4
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4599
Area:507.847
Solvation:-2.23629
Coulombic:-40.9477
Bond Count [?]
All:22
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.176
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.48
LogP (Chemaxon):4.08

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