Chemical ID: 4728749

c1ccc(cc1)Cc2nc(cc(n2)Cl)Cl
Chemical ID:
4728749
Name [?]:
2-benzyl-4,6-dichloro-pyrimidine
SMILES [?]:
c1ccc(cc1)Cc2nc(cc(n2)Cl)Cl
InChi [?]:
InChI=1/C11H8Cl2N2/c12-9-7-10(13)15-11(14-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,11,4,10,12,8,15,14,9,13/E:(2,3)(4,5)(9,10)(12,13)(14,15)/rA:15nCCCCCCCCNCCCNClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8Cl2N2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.16438
Area:414.555
Solvation:-1.19949
Coulombic:-13.5922
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:239.1
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.99
LogP (Chemaxon):4.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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