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4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde

4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde

CAS: 134221-52-6

Formula: C7H7ClN2O3

SMILES: COC1=NC(Cl)=C(C=O)C(OC)=N1

IUPAC: 4-chloro-2,6-dimethoxypyrimidine-5-carbaldehyde

InChI: InChI=1S/C7H7ClN2O3/c1-12-6-4(3-11)5(8)9-7(10-6)13-2/h3H,1-2H3

Composition: C (41.50%), H (3.48%), Cl (17.50%), N (13.83%), O (23.69%)

Molar Mass: 202.59

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 202.0145198
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey KSUIGOHQLMJUSE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.36
Topological Polar Surface Area 61.31
Polarizability 17.63
Ring Count 1
Rotatable Bond Count 3

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