Chemical ID: 4958944

c1ccc(cc1)OC(=O)c2ccc(cc2)Br
Chemical ID:
4958944
Name [?]:
phenyl 4-bromobenzoate
SMILES [?]:
c1ccc(cc1)OC(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C13H9BrO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,15,12,14,10,13,4,8,16,9,7/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9BrO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.93519
Area:411.945
Solvation:-1.36345
Coulombic:-22.5093
Bond Count [?]
All:17
Single:10
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.113
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.32
LogP (Chemaxon):4.07

Name Annotations

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Descriptor Annotations

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