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methyl 2-(2-chloroacetamido)-5-phenylthiophene-3-carboxylate

methyl 2-(2-chloroacetamido)-5-phenylthiophene-3-carboxylate

CAS: 315708-45-3

Formula: C14H12ClNO3S

SMILES: COC(=O)C1=C(NC(=O)CCl)SC(=C1)C1=CC=CC=C1

IUPAC: methyl 2-(2-chloroacetamido)-5-phenylthiophene-3-carboxylate

InChI: InChI=1S/C14H12ClNO3S/c1-19-14(18)10-7-11(9-5-3-2-4-6-9)20-13(10)16-12(17)8-15/h2-7H,8H2,1H3,(H,16,17)

Composition: C (54.28%), H (3.90%), Cl (11.44%), N (4.52%), O (15.49%), S (10.35%)

Molar Mass: 309.76

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 309.0226421
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AFBVMBQTWCUUHF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.89
Topological Polar Surface Area 55.4
Polarizability 31.1
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 315708-45-3 $202.14$202.14
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