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ethyl 2-[(4-bromophenyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(4-bromophenyl)amino]-1,3-thiazole-4-carboxylate

CAS: 165682-91-7

Formula: C12H11BrN2O2S

SMILES: CCOC(=O)C1=CSC(NC2=CC=C(Br)C=C2)=N1

IUPAC: ethyl 2-[(4-bromophenyl)amino]-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C12H11BrN2O2S/c1-2-17-11(16)10-7-18-12(15-10)14-9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,14,15)

Composition: C (44.05%), H (3.39%), Br (24.42%), N (8.56%), O (9.78%), S (9.80%)

Molar Mass: 327.2

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 325.972462
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OPQZHGJIMLFQQB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.25
Topological Polar Surface Area 51.22
Polarizability 28.03
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 165682-91-7 $51.35-$86.31$51.35$63.37$86.31
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