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8-chloro-2-methanesulfonylpyrido[3,4-d]pyrimidine

8-chloro-2-methanesulfonylpyrido[3,4-d]pyrimidine

CAS: 1578246-63-5

Formula: C8H6ClN3O2S

SMILES: CS(=O)(=O)C1=NC=C2C=CN=C(Cl)C2=N1

IUPAC: 8-chloro-2-methanesulfonylpyrido[3,4-d]pyrimidine

InChI: InChI=1S/C8H6ClN3O2S/c1-15(13,14)8-11-4-5-2-3-10-7(9)6(5)12-8/h2-4H,1H3

Composition: C (39.43%), H (2.48%), Cl (14.55%), N (17.25%), O (13.13%), S (13.16%)

Molar Mass: 243.67

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 242.9869253
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey SWDQPJHFRZZXDQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.46
Topological Polar Surface Area 72.81
Polarizability 23.18
Ring Count 2
Rotatable Bond Count 1

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97% <5 Days 1578246-63-5 $157.63-$649.42$157.63$252.20$421.17$649.42
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