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

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

CAS: 1177292-31-7

Formula: C7H8ClNO3

SMILES: COC(=O)C1=NOC(C)=C1CCl

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

InChI: InChI=1S/C7H8ClNO3/c1-4-5(3-8)6(9-12-4)7(10)11-2/h3H2,1-2H3

Composition: C (44.35%), H (4.25%), Cl (18.70%), N (7.39%), O (25.32%)

Molar Mass: 189.6

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.0192708
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QEMGAHVFVGNBDY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.17
Topological Polar Surface Area	52.33
Polarizability	16.37
Ring Count	1
Rotatable Bond Count	3

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