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ethyl 6-chloro-5-fluoropyrimidine-4-carboxylate

ethyl 6-chloro-5-fluoropyrimidine-4-carboxylate

CAS: 2095204-00-3

Formula: C7H6ClFN2O2

SMILES: CCOC(=O)C1=NC=NC(Cl)=C1F

IUPAC: ethyl 6-chloro-5-fluoropyrimidine-4-carboxylate

InChI: InChI=1S/C7H6ClFN2O2/c1-2-13-7(12)5-4(9)6(8)11-3-10-5/h3H,2H2,1H3

Composition: C (41.10%), H (2.96%), Cl (17.33%), F (9.29%), N (13.69%), O (15.64%)

Molar Mass: 204.59

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.0101833
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey NBGFARDUXWHUFY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.21
Topological Polar Surface Area 52.08
Polarizability 16.72
Ring Count 1
Rotatable Bond Count 3

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97% <7 Days 2095204-00-3 $383.35-$3,914.85$383.35$576.90$920.04$1,346.40$3,914.85
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