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5-(carboxymethyl)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

5-(carboxymethyl)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

CAS: 123853-39-4

Formula: C16H15Cl2NO4

SMILES: CC1=C(CC(O)=O)C(C2=C(Cl)C(Cl)=CC=C2)C(C(O)=O)=C(C)N1

IUPAC: 5-(carboxymethyl)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

InChI: InChI=1/C16H15Cl2NO4/c1-7-10(6-12(20)21)14(13(16(22)23)8(2)19-7)9-4-3-5-11(17)15(9)18/h3-5,14,19H,6H2,1-2H3,(H,20,21)(H,22,23)

Composition: C (53.95%), H (4.24%), Cl (19.90%), N (3.93%), O (17.97%)

Molar Mass: 356.2

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 355.0378134
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey YJEMESISMBKYAO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.46
Topological Polar Surface Area 86.63
Polarizability 33.58
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 123853-39-4 $480.00-$554.00$480.00$554.00
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 123853-39-4 $138.72-$1,108.74$138.72$1,108.74
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