Chemical ID: 4264285

c1ccc(cc1)C(=O)Oc2ccc(cc2)Br
Chemical ID:
4264285
Name [?]:
(4-bromophenyl) benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccc(cc2)Br
InChi [?]:
InChI=1/C13H9BrO2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,14,11,15,4,13,10,7,16,8,9/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCCOOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;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:8.95116
Area:410.586
Solvation:-1.3135
Coulombic:-22.5337
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue