5-chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile

5-chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile

Formula: C12H8ClN3O

SMILES: CC1=NC(=NC(OC2=CC=CC=C2)=C1Cl)C#N

IUPAC: 5-chloro-4-methyl-6-phenoxypyrimidine-2-carbonitrile

InChI: InChI=1S/C12H8ClN3O/c1-8-11(13)12(16-10(7-14)15-8)17-9-5-3-2-4-6-9/h2-6H,1H3

Composition: C (58.67%), H (3.28%), Cl (14.43%), N (17.10%), O (6.51%)

Molar Mass: 245.67

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	245.0355896
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ADUBWAMYGOOAED-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.06
Topological Polar Surface Area	58.8
Polarizability	24.42
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H8ClN3O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00