4-isocyanato-5-methyl-3-phenyl-1,2-oxazole

4-isocyanato-5-methyl-3-phenyl-1,2-oxazole

CAS: 268748-84-1

Formula: C11H8N2O2

SMILES: CC1=C(N=C=O)C(=NO1)C1=CC=CC=C1

IUPAC: 4-isocyanato-5-methyl-3-phenyl-1,2-oxazole

InChI: InChI=1S/C11H8N2O2/c1-8-10(12-7-14)11(13-15-8)9-5-3-2-4-6-9/h2-6H,1H3

Composition: C (66.00%), H (4.03%), N (13.99%), O (15.98%)

Molar Mass: 200.197

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	200.058577506
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PQTGYRAJPUYYOM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.49
Topological Polar Surface Area	55.46
Polarizability	21.34
Ring Count	2
Rotatable Bond Count	2

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95%	<2 Days	268748-84-1		$159.51-$619.45$159.51$159.51$619.45$619.45