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5-(methoxycarbonyl)-2-nitrophenyl thiophene-2-carboxylate

5-(methoxycarbonyl)-2-nitrophenyl thiophene-2-carboxylate

CAS: 297150-05-1

Formula: C13H9NO6S

SMILES: COC(=O)C1=CC(OC(=O)C2=CC=CS2)=C(C=C1)[N+]([O-])=O

IUPAC: 5-(methoxycarbonyl)-2-nitrophenyl thiophene-2-carboxylate

InChI: InChI=1S/C13H9NO6S/c1-19-12(15)8-4-5-9(14(17)18)10(7-8)20-13(16)11-3-2-6-21-11/h2-7H,1H3

Composition: C (50.82%), H (2.95%), N (4.56%), O (31.24%), S (10.43%)

Molar Mass: 307.28

Atom Count: 30

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 307.015058188
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey PTCXRDXKUXMXIQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.1
Topological Polar Surface Area 95.74
Polarizability 27.64
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 297150-05-1 $51.35-$524.40$51.35$63.37$86.31$524.40
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