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1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid

1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid

CAS: 64488-03-5

Formula: C13H9Cl2NO3

SMILES: OC(=O)C1=CC=CN(CC2=CC=C(Cl)C(Cl)=C2)C1=O

IUPAC: 1-[(3,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid

InChI: InChI=1S/C13H9Cl2NO3/c14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19/h1-6H,7H2,(H,18,19)

Composition: C (52.38%), H (3.04%), Cl (23.78%), N (4.70%), O (16.10%)

Molar Mass: 298.12

Atom Count: 28

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 296.9959486
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JVAIYFASDWZOSF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.24
Topological Polar Surface Area 57.61
Polarizability 27.6
Ring Count 2
Rotatable Bond Count 3

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Life Chemicals USA, Inc.
Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 64488-03-5 $99.00-$1,164.24$99.00$166.32$277.20$554.40$831.60$1,164.24
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