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methyl 3-acetamido-5-nitrothiophene-2-carboxylate

methyl 3-acetamido-5-nitrothiophene-2-carboxylate

CAS: 80615-54-9

Formula: C8H8N2O5S

SMILES: COC(=O)C1=C(NC(C)=O)C=C(S1)[N+]([O-])=O

IUPAC: methyl 3-acetamido-5-nitrothiophene-2-carboxylate

InChI: InChI=1S/C8H8N2O5S/c1-4(11)9-5-3-6(10(13)14)16-7(5)8(12)15-2/h3H,1-2H3,(H,9,11)

Composition: C (39.34%), H (3.30%), N (11.47%), O (32.76%), S (13.13%)

Molar Mass: 244.22

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 244.01539254
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DJPJTIGJPWASOS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.32
Topological Polar Surface Area 98.54
Polarizability 20.52
Ring Count 1
Rotatable Bond Count 4

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Chemcia Scientific, LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 80615-54-9 $373.75-$1,351.25$373.75$1,351.25
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LabNetwork INC
Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 80615-54-9 $1,950.75$1,950.75
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