Chemical ID: 6299640

c1cc(oc1COc2c(cc(cc2Br)Br)Br)C=O
Chemical ID:
6299640
Name [?]:
5-[(2,4,6-tribromophenoxy)methyl]furan-2-carbaldehyde
SMILES [?]:
c1cc(oc1COc2c(cc(cc2Br)Br)Br)C=O
InChi [?]:
InChI=1/C12H7Br3O3/c13-7-3-10(14)12(11(15)4-7)17-6-9-2-1-8(5-16)18-9/h1-5H,6H2
InChi Info:
AuxInfo=1/0/N:2,1,10,12,17,6,11,3,5,9,13,8,15,16,14,18,7,4/E:(3,4)(10,11)(14,15)/rA:18nCCCOCCOCCCCCCBrBrBrCO/rB:s1;d2;s3;d1s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s11;s9;s3;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7Br3O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.64992
Area:466.666
Solvation:-5.01674
Coulombic:-21.7597
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:438.894
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.45
LogP (Chemaxon):4.33

Name Annotations

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