4-chloro-7-methoxyquinazolin-6-yl acetate

4-chloro-7-methoxyquinazolin-6-yl acetate

CAS: 230955-75-6

Formula: C11H9ClN2O3

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

IUPAC: 4-chloro-7-methoxyquinazolin-6-yl acetate

InChI: InChI=1S/C11H9ClN2O3/c1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12/h3-5H,1-2H3

Composition: C (52.29%), H (3.59%), Cl (14.03%), N (11.09%), O (19.00%)

Molar Mass: 252.65

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	252.0301699
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	VWBHHSJRPOSFGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.26
Topological Polar Surface Area	61.31
Polarizability	24.96
Ring Count	2
Rotatable Bond Count	3

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