4-chloro-5-fluoro-2-methoxypyrimidine

4-chloro-5-fluoro-2-methoxypyrimidine

CAS: 1801-06-5

Formula: C5H4ClFN2O

SMILES: COC1=NC=C(F)C(Cl)=N1

IUPAC: 4-chloro-5-fluoro-2-methoxypyrimidine

InChI: InChI=1S/C5H4ClFN2O/c1-10-5-8-2-3(7)4(6)9-5/h2H,1H3

Composition: C (36.95%), H (2.48%), Cl (21.81%), F (11.69%), N (17.23%), O (9.84%)

Molar Mass: 162.55

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	161.9996186
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SGXQCZHNMNMMEG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.21
Topological Polar Surface Area	35.01
Polarizability	12.95
Ring Count	1
Rotatable Bond Count	1

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