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Chemical ID: 4253972
Chemical ID:
4253972
Name [?]:
2-[(3-chlorophenyl)methoxy]-3-methoxy-benzaldehyde
SMILES [?]:
COc1cccc(c1OCc2cccc(c2)Cl)C=O
InChi [?]:
InChI=1/C15H13ClO3/c1-18-14-7-3-5-12(9-17)15(14)19-10-11-4-2-6-13(16)8-11/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,5,12,6,14,4,16,18,10,11,7,15,3,8,17,19,2,9/rA:19nCOCCCCCCOCCCCCCCClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s7;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.39079 |
Area: | 471.012 |
Solvation: | -4.38452 |
Coulombic: | -24.7009 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.715 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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