ethyl 2-chloroquinazoline-4-carboxylate

ethyl 2-chloroquinazoline-4-carboxylate

CAS: 1092352-52-7

Formula: C11H9ClN2O2

SMILES: CCOC(=O)C1=C2C=CC=CC2=NC(Cl)=N1

IUPAC: ethyl 2-chloroquinazoline-4-carboxylate

InChI: InChI=1S/C11H9ClN2O2/c1-2-16-10(15)9-7-5-3-4-6-8(7)13-11(12)14-9/h3-6H,2H2,1H3

Composition: C (55.83%), H (3.83%), Cl (14.98%), N (11.84%), O (13.52%)

Molar Mass: 236.66

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	236.0352552
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KLQNJTKSLRIEAW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.7
Topological Polar Surface Area	52.08
Polarizability	24.33
Ring Count	2
Rotatable Bond Count	3

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