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ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate

CAS: 68301-50-8

Formula: C12H11N3O4S

SMILES: CCOC(=O)C1=C(N=C(N)S1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate

InChI: InChI=1S/C12H11N3O4S/c1-2-19-11(16)10-9(14-12(13)20-10)7-3-5-8(6-4-7)15(17)18/h3-6H,2H2,1H3,(H2,13,14)

Composition: C (49.14%), H (3.78%), N (14.33%), O (21.82%), S (10.93%)

Molar Mass: 293.3

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 293.04702702
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey XQZQJOZWHWHSDG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.08
Topological Polar Surface Area 108.35
Polarizability 28.4
Ring Count 2
Rotatable Bond Count 5

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95% <7 Days 68301-50-8 $444.02-$1,724.31$444.02$863.19$1,724.31
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