Chemical ID: 4767191

COC(=O)c1ccc(c(c1)C(=O)OC)Br
Chemical ID:
4767191
Name [?]:
dimethyl 4-bromobenzene-1,3-dicarboxylate
SMILES [?]:
COC(=O)c1ccc(c(c1)C(=O)OC)Br
InChi [?]:
InChI=1/C10H9BrO4/c1-14-9(12)6-3-4-8(11)7(5-6)10(13)15-2/h3-5H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,6,7,10,5,9,8,3,11,15,4,12,2,13/rA:15nCOCOCCCCCCCOOCBr/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;d11;s11;s13;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9BrO4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.36601
Area:397.368
Solvation:-2.56818
Coulombic:-39.1843
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.08
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.69
LogP (Chemaxon):1.93

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