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methyl 5-(3-chlorophenyl)-1,3-oxazole-4-carboxylate

methyl 5-(3-chlorophenyl)-1,3-oxazole-4-carboxylate

CAS: 89204-92-2

Formula: C11H8ClNO3

SMILES: COC(=O)C1=C(OC=N1)C1=CC=CC(Cl)=C1

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

InChI: InChI=1S/C11H8ClNO3/c1-15-11(14)9-10(16-6-13-9)7-3-2-4-8(12)5-7/h2-6H,1H3

Composition: C (55.60%), H (3.39%), Cl (14.92%), N (5.89%), O (20.20%)

Molar Mass: 237.64

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.0192708
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PSEFUIFASINPKU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.24
Topological Polar Surface Area 52.33
Polarizability 23.59
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 89204-92-2 $300.15-$2,202.25$300.15$734.85$2,202.25
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