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methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate

methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate

CAS: 860784-58-3

Formula: C11H8Cl2N2O2S

SMILES: COC(=O)C1=C(SC(N)=N1)C1=CC(Cl)=C(Cl)C=C1

IUPAC: methyl 2-amino-5-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C11H8Cl2N2O2S/c1-17-10(16)8-9(18-11(14)15-8)5-2-3-6(12)7(13)4-5/h2-4H,1H3,(H2,14,15)

Composition: C (43.58%), H (2.66%), Cl (23.39%), N (9.24%), O (10.55%), S (10.58%)

Molar Mass: 303.16

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 301.9683541
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WURUCDRXVWFZOP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.62
Topological Polar Surface Area 65.21
Polarizability 28.48
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 860784-58-3 $51.35-$524.40$51.35$63.37$86.31$524.40
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