methyl 4-(4-cyanopyridin-2-yl)benzoate

methyl 4-(4-cyanopyridin-2-yl)benzoate

CAS: 886361-52-0

Formula: C14H10N2O2

SMILES: COC(=O)C1=CC=C(C=C1)C1=NC=CC(=C1)C#N

IUPAC: methyl 4-(4-cyanopyridin-2-yl)benzoate

InChI: InChI=1S/C14H10N2O2/c1-18-14(17)12-4-2-11(3-5-12)13-8-10(9-15)6-7-16-13/h2-8H,1H3

Composition: C (70.58%), H (4.23%), N (11.76%), O (13.43%)

Molar Mass: 238.246

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	238.07422757
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	FQMWWWCTWQEUFU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.41
Topological Polar Surface Area	62.98
Polarizability	26.64
Ring Count	2
Rotatable Bond Count	3

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95%	<2 Days	886361-52-0		$51.35-$1,078.30$51.35$63.37$86.31$225.06$359.43$1,078.30