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

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

CAS: 487034-01-5

Formula: C11H8N2O5

SMILES: COC(=O)C1=NOC(=C1)C1=CC=C(C=C1)[N+]([O-])=O

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

InChI: InChI=1S/C11H8N2O5/c1-17-11(14)9-6-10(18-12-9)7-2-4-8(5-3-7)13(15)16/h2-6H,1H3

Composition: C (53.23%), H (3.25%), N (11.29%), O (32.23%)

Molar Mass: 248.194

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 248.043321366
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey PORQPQFJPVHBLR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.49
Topological Polar Surface Area 95.47
Polarizability 23.64
Ring Count 2
Rotatable Bond Count 4

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