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ethyl 5-amino-2,6-dichloropyrimidine-4-carboxylate

ethyl 5-amino-2,6-dichloropyrimidine-4-carboxylate

CAS: 54368-62-6

Formula: C7H7Cl2N3O2

SMILES: CCOC(=O)C1=NC(Cl)=NC(Cl)=C1N

IUPAC: ethyl 5-amino-2,6-dichloropyrimidine-4-carboxylate

InChI: InChI=1S/C7H7Cl2N3O2/c1-2-14-6(13)4-3(10)5(8)12-7(9)11-4/h2,10H2,1H3

Composition: C (35.62%), H (2.99%), Cl (30.04%), N (17.80%), O (13.56%)

Molar Mass: 236.05

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 234.9915319
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey CAUKXOUUXPKJQC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.19
Topological Polar Surface Area 78.1
Polarizability 20.12
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 54368-62-6 $34.05-$411.09$34.05$51.70$132.41$411.09
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