Chemical ID: 4253276

c1cc(ccc1C=O)c2cc(cc(c2)Cl)Cl
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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