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Chemical ID: 6299640
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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Experimental Annotations
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Descriptor Annotations
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