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Chemical ID: 6303389
Chemical ID:
6303389
Name [?]:
5-[(4-bromophenoxy)methyl]furan-2-carbaldehyde
SMILES [?]:
c1cc(ccc1OCc2ccc(o2)C=O)Br
InChi [?]:
InChI=1/C12H9BrO3/c13-9-1-3-10(4-2-9)15-8-12-6-5-11(7-14)16-12/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,11,10,14,8,3,6,12,9,16,15,7,13/E:(1,2)(3,4)/rA:16nCCCCCCOCCCCCOCOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;s9s12;s12;d14;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9BrO3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.42428 |
Area: | 421.511 |
Solvation: | -5.11349 |
Coulombic: | -21.7977 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.102 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.85 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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