Chemical ID: 4241924

COC(=O)c1ccc(cc1)COC(=O)c2ccccc2Br
Chemical ID:
4241924
Name [?]:
methyl 4-[(2-bromobenzoyl)oxymethyl]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)COC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C16H13BrO4/c1-20-15(18)12-8-6-11(7-9-12)10-21-16(19)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,19,7,9,6,10,11,8,5,15,20,3,13,21,4,14,2,12/E:(6,7)(8,9)/rA:21nCOCOCCCCCCCOCOCCCCCCBr/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0494
Area:507.851
Solvation:-2.64684
Coulombic:-41.9821
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:349.176
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.4
LogP (Chemaxon):3.71

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Descriptor Annotations

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