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2-(chloromethyl)-5-methoxypyrimidine

2-(chloromethyl)-5-methoxypyrimidine

CAS: 1459748-96-9

Formula: C6H7ClN2O

SMILES: COC1=CN=C(CCl)N=C1

IUPAC: 2-(chloromethyl)-5-methoxypyrimidine

InChI: InChI=1S/C6H7ClN2O/c1-10-5-3-8-6(2-7)9-4-5/h3-4H,2H2,1H3

Composition: C (45.44%), H (4.45%), Cl (22.35%), N (17.66%), O (10.09%)

Molar Mass: 158.59

Atom Count: 17

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 158.0246906
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YNZVBZWMTZGXPO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.56
Topological Polar Surface Area 35.01
Polarizability 14.79
Ring Count 1
Rotatable Bond Count 2

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