4-(pyrimidin-2-yl)benzaldehyde

4-(pyrimidin-2-yl)benzaldehyde

CAS: 77232-38-3

Formula: C11H8N2O

SMILES: O=CC1=CC=C(C=C1)C1=NC=CC=N1

IUPAC: 4-(pyrimidin-2-yl)benzaldehyde

InChI: InChI=1S/C11H8N2O/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11/h1-8H

Composition: C (71.73%), H (4.38%), N (15.21%), O (8.69%)

Molar Mass: 184.198

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	184.063662886
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JUYLMPWKVWDXBE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.72
Topological Polar Surface Area	42.85
Polarizability	20.72
Ring Count	2
Rotatable Bond Count	2

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98%	<7 Days	77232-38-3		$12.42-$156.29$12.42$40.37$156.29

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95%	<2 Days	77232-38-3		$51.35-$510.20$51.35$63.37$86.31$225.06$510.20

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95%	<5 Days	77232-38-3		$23.96$23.96