Chemical ID: 4477999

CCOC(=O)c1cccc(c1)COC(=O)c2ccc(cc2)Br
Chemical ID:
4477999
Name [?]:
ethyl 3-[(4-bromobenzoyl)oxymethyl]benzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)COC(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C17H15BrO4/c1-2-21-17(20)14-5-3-4-12(10-14)11-22-16(19)13-6-8-15(18)9-7-13/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,9,7,17,21,18,20,11,12,10,16,6,19,14,4,22,15,5,3,13/E:(6,7)(8,9)/rA:22nCCOCOCCCCCCCOCOCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15BrO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.2678
Area:548.544
Solvation:-2.44579
Coulombic:-42.4695
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:363.203
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.82
LogP (Chemaxon):4.05

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