Chemical ID: 6182575

c1ccc(c(c1)C=O)OC(=O)c2ccccc2Br
Chemical ID:
6182575
Name [?]:
(2-formylphenyl) 2-bromobenzoate
SMILES [?]:
c1ccc(c(c1)C=O)OC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C14H9BrO3/c15-12-7-3-2-6-11(12)14(17)18-13-8-4-1-5-10(13)9-16/h1-9H
InChi Info:
AuxInfo=1/0/N:1,14,15,2,6,13,16,3,7,5,12,17,4,10,18,8,11,9/rA:18nCCCCCCCOOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s4;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9BrO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.53658
Area:430.8
Solvation:-2.23342
Coulombic:-29.3771
Bond Count [?]
All:19
Single:11
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:305.123
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.02
LogP (Chemaxon):3.74

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Experimental Annotations

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Descriptor Annotations

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