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ethyl 2-(2-chloropyridine-3-carbonyl)benzoate

ethyl 2-(2-chloropyridine-3-carbonyl)benzoate

CAS: 890100-43-3

Formula: C15H12ClNO3

SMILES: CCOC(=O)C1=CC=CC=C1C(=O)C1=CC=CN=C1Cl

IUPAC: ethyl 2-(2-chloropyridine-3-carbonyl)benzoate

InChI: InChI=1S/C15H12ClNO3/c1-2-20-15(19)11-7-4-3-6-10(11)13(18)12-8-5-9-17-14(12)16/h3-9H,2H2,1H3

Composition: C (62.19%), H (4.18%), Cl (12.24%), N (4.83%), O (16.57%)

Molar Mass: 289.72

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 289.050571
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AUZCWXKJWVICAP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.12
Topological Polar Surface Area 56.26
Polarizability 29.31
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 890100-43-3 $798.10-$2,342.55$798.10$1,177.60$2,342.55
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