3-(pyrimidin-2-yl)benzaldehyde

3-(pyrimidin-2-yl)benzaldehyde

CAS: 263349-22-0

Formula: C11H8N2O

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

IUPAC: 3-(pyrimidin-2-yl)benzaldehyde

InChI: InChI=1S/C11H8N2O/c14-8-9-3-1-4-10(7-9)11-12-5-2-6-13-11/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	ZBAZYPXXIVHUFO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.72
Topological Polar Surface Area	42.85
Polarizability	20.71
Ring Count	2
Rotatable Bond Count	2

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