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Chemical ID: 5871131
Chemical ID:
5871131
Name [?]:
2-amino-4,6-dichloro-pyrimidine-5-carbaldehyde
SMILES [?]:
C(=O)c1c(nc(nc1Cl)N)Cl
InChi [?]:
InChI=1/C5H3Cl2N3O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H,(H2,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,4,8,6,11,9,10,5,7,2/E:(3,4)(6,7)(9,10)/rA:11nCOCCNCNCClNCl/rB:d1;s1;s3;d4;s5;d6;d3s7;s8;s6;s4;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H3Cl2N3O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.85073 |
Area: | 326.703 |
Solvation: | -2.31685 |
Coulombic: | -34.5959 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.002 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.76 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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