Chemical ID: 4251119

c1ccc(cc1)COC(=O)c2ccc(cc2)Br
Chemical ID:
4251119
Name [?]:
benzyl 4-bromobenzoate
SMILES [?]:
c1ccc(cc1)COC(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C14H11BrO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,16,13,15,7,4,11,14,9,17,10,8/E:(2,3)(4,5)(6,7)(8,9)/rA:17nCCCCCCCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11BrO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.42305
Area:440.611
Solvation:-1.59223
Coulombic:-23.2936
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.14
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.47
LogP (Chemaxon):4.16

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Descriptor Annotations

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