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ethyl 2-(4,6-dichloropyrimidin-5-yl)acetate

ethyl 2-(4,6-dichloropyrimidin-5-yl)acetate

CAS: 1095822-21-1

Formula: C8H8Cl2N2O2

SMILES: CCOC(=O)CC1=C(Cl)N=CN=C1Cl

IUPAC: ethyl 2-(4,6-dichloropyrimidin-5-yl)acetate

InChI: InChI=1S/C8H8Cl2N2O2/c1-2-14-6(13)3-5-7(9)11-4-12-8(5)10/h4H,2-3H2,1H3

Composition: C (40.88%), H (3.43%), Cl (30.16%), N (11.92%), O (13.61%)

Molar Mass: 235.06

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.9962829
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZMNVHLAMRJXIJK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.28
Topological Polar Surface Area 52.08
Polarizability 20.72
Ring Count 1
Rotatable Bond Count 4

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Kinentia Biosciences LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1095822-21-1 $396.90$396.90
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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1095822-21-1 $402.50-$1,610.00$402.50$1,610.00
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