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methyl 2-(2-chloroacetamido)-4-ethyl-5-methylthiophene-3-carboxylate

methyl 2-(2-chloroacetamido)-4-ethyl-5-methylthiophene-3-carboxylate

CAS: 544428-38-8

Formula: C11H14ClNO3S

SMILES: CCC1=C(C)SC(NC(=O)CCl)=C1C(=O)OC

IUPAC: methyl 2-(2-chloroacetamido)-4-ethyl-5-methylthiophene-3-carboxylate

InChI: InChI=1S/C11H14ClNO3S/c1-4-7-6(2)17-10(13-8(14)5-12)9(7)11(15)16-3/h4-5H2,1-3H3,(H,13,14)

Composition: C (47.91%), H (5.12%), Cl (12.86%), N (5.08%), O (17.41%), S (11.63%)

Molar Mass: 275.75

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 275.0382922
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FXKSBBGLAJEBAR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.66
Topological Polar Surface Area 55.4
Polarizability 25.63
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 544428-38-8 $202.14$202.14
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