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Chemical ID: 7151372
Chemical ID:
7151372
Name [?]:
4-[(3-bromophenyl)methoxy]-3-ethoxy-benzaldehyde
SMILES [?]:
CCOc1cc(ccc1OCc2cccc(c2)Br)C=O
InChi [?]:
InChI=1/C16H15BrO3/c1-2-19-16-9-12(10-18)6-7-15(16)20-11-13-4-3-5-14(17)8-13/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,7,8,17,5,19,11,6,12,16,9,4,18,20,3,10/rA:20nCCOCCCCCCOCCCCCCCBrCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15BrO3 |
All Atoms: | 35 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.9086 |
Area: | 503.33 |
Solvation: | -5.67464 |
Coulombic: | -22.594 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.193 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.21 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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