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2,5-dichloro-4-methoxypyrimidine

2,5-dichloro-4-methoxypyrimidine

CAS: 5750-74-3

Formula: C5H4Cl2N2O

SMILES: COC1=NC(Cl)=NC=C1Cl

IUPAC: 2,5-dichloro-4-methoxypyrimidine

InChI: InChI=1S/C5H4Cl2N2O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3

Composition: C (33.55%), H (2.25%), Cl (39.61%), N (15.65%), O (8.94%)

Molar Mass: 179

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 177.9700682
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FNXVYHFDDCNERP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.8
Topological Polar Surface Area 35.01
Polarizability 15.14
Ring Count 1
Rotatable Bond Count 1

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