4-chloro-7-fluoro-6-methoxyquinazoline

4-chloro-7-fluoro-6-methoxyquinazoline

CAS: 159768-48-6

Formula: C9H6ClFN2O

SMILES: COC1=CC2=C(Cl)N=CN=C2C=C1F

IUPAC: 4-chloro-7-fluoro-6-methoxyquinazoline

InChI: InChI=1S/C9H6ClFN2O/c1-14-8-2-5-7(3-6(8)11)12-4-13-9(5)10/h2-4H,1H3

Composition: C (50.84%), H (2.84%), Cl (16.67%), F (8.94%), N (13.18%), O (7.53%)

Molar Mass: 212.61

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	212.0152687
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XVFCYYAFOCEJSI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.35
Topological Polar Surface Area	35.01
Polarizability	20.2
Ring Count	2
Rotatable Bond Count	1

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