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2-chloro-4-isopropoxypyrimidine

2-chloro-4-isopropoxypyrimidine

CAS: 1250967-81-7

Formula: C7H9ClN2O

SMILES: CC(C)OC1=NC(Cl)=NC=C1

IUPAC: 2-chloro-4-(propan-2-yloxy)pyrimidine

InChI: InChI=1S/C7H9ClN2O/c1-5(2)11-6-3-4-9-7(8)10-6/h3-5H,1-2H3

Composition: C (48.71%), H (5.26%), Cl (20.54%), N (16.23%), O (9.27%)

Molar Mass: 172.61

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 172.0403406
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey NWKPCTJWFJSBAY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.17
Topological Polar Surface Area 35.01
Polarizability 16.78
Ring Count 1
Rotatable Bond Count 2

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