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ethyl 5-(4-nitrophenyl)-1,3-oxazole-4-carboxylate

ethyl 5-(4-nitrophenyl)-1,3-oxazole-4-carboxylate

CAS: 72030-87-6

Formula: C12H10N2O5

SMILES: CCOC(=O)C1=C(OC=N1)C1=CC=C(C=C1)[N+]([O-])=O

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

InChI: InChI=1S/C12H10N2O5/c1-2-18-12(15)10-11(19-7-13-10)8-3-5-9(6-4-8)14(16)17/h3-7H,2H2,1H3

Composition: C (54.97%), H (3.84%), N (10.68%), O (30.51%)

Molar Mass: 262.221

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 262.05897143
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey WFXGNVYQHVQFKU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.5
Topological Polar Surface Area 95.47
Polarizability 25.46
Ring Count 2
Rotatable Bond Count 5

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