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Chemical ID: 4728749
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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