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Chemical ID: 4253276
Chemical ID:
4253276
Name [?]:
4-(3,5-dichlorophenyl)benzaldehyde
SMILES [?]:
c1cc(ccc1C=O)c2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C13H8Cl2O/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10/h1-8H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,14,12,7,6,3,9,11,13,16,15,8/E:(1,2)(3,4)(5,6)(12,13)(14,15)/rA:16nCCCCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;d10;s11;d12;d9s13;s13;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Cl2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57551 |
Area: | 434.444 |
Solvation: | -2.28559 |
Coulombic: | -9.90383 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.107 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.9 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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