ethyl 4-(chloromethyl)-5-ethyl-1,2-oxazole-3-carboxylate

ethyl 4-(chloromethyl)-5-ethyl-1,2-oxazole-3-carboxylate

CAS: 1119449-80-7

Formula: C9H12ClNO3

SMILES: CCOC(=O)C1=NOC(CC)=C1CCl

IUPAC: ethyl 4-(chloromethyl)-5-ethyl-1,2-oxazole-3-carboxylate

InChI: InChI=1S/C9H12ClNO3/c1-3-7-6(5-10)8(11-14-7)9(12)13-4-2/h3-5H2,1-2H3

Composition: C (49.67%), H (5.56%), Cl (16.29%), N (6.44%), O (22.05%)

Molar Mass: 217.65

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.050571
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UBGMKJIZDYNRKT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.44
Topological Polar Surface Area	52.33
Polarizability	19.99
Ring Count	1
Rotatable Bond Count	5

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