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

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

CAS: 1393584-98-9

Formula: C6H6ClNO3

SMILES: COC(=O)C1=NC(CCl)=CO1

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

InChI: InChI=1S/C6H6ClNO3/c1-10-6(9)5-8-4(2-7)3-11-5/h3H,2H2,1H3

Composition: C (41.05%), H (3.44%), Cl (20.19%), N (7.98%), O (27.34%)

Molar Mass: 175.57

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	175.0036208
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YANVJEPYGCKQRF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.61
Topological Polar Surface Area	52.33
Polarizability	14.63
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	1393584-98-9		$342.70-$5,612.00$342.70$457.70$687.70$977.50$1,587.00$5,612.00