4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl acetate

4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl acetate

CAS: 740081-22-5

Formula: C17H13ClFN3O3

SMILES: COC1=CC2=NC=NC(NC3=CC=CC(Cl)=C3F)=C2C=C1OC(C)=O

IUPAC: 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl acetate

InChI: InChI=1S/C17H13ClFN3O3/c1-9(23)25-15-6-10-13(7-14(15)24-2)20-8-21-17(10)22-12-5-3-4-11(18)16(12)19/h3-8H,1-2H3,(H,20,21,22)

Composition: C (56.44%), H (3.62%), Cl (9.80%), F (5.25%), N (11.62%), O (13.27%)

Molar Mass: 361.76

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	361.0629472
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	YJNQYSVKLRFVQN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.22
Topological Polar Surface Area	73.34
Polarizability	35.32
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	740081-22-5		$119.80$119.80