tert-butyl 4-chloro-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate

tert-butyl 4-chloro-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate

CAS: 1056934-87-2

Formula: C12H16ClN3O2

SMILES: CC(C)(C)OC(=O)N1CCC2=NC=NC(Cl)=C2C1

IUPAC: tert-butyl 4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate

InChI: InChI=1S/C12H16ClN3O2/c1-12(2,3)18-11(17)16-5-4-9-8(6-16)10(13)15-7-14-9/h7H,4-6H2,1-3H3

Composition: C (53.44%), H (5.98%), Cl (13.14%), N (15.58%), O (11.86%)

Molar Mass: 269.73

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.0931045
Formal Charge	0
FSP3	0.58
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YSSUXXNMVJXCBS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.56
Topological Polar Surface Area	55.32
Polarizability	26.45
Ring Count	2
Rotatable Bond Count	2

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97%	<7 Days	1056934-87-2		$44.88-$347.82$44.88$173.91$347.82