Chemical ID: 6303389

c1cc(ccc1OCc2ccc(o2)C=O)Br
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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