2-(2-chloropyridin-3-yl)-2-methylpropanoic acid

2-(2-chloropyridin-3-yl)-2-methylpropanoic acid

CAS: 1452561-74-8

Formula: C9H10ClNO2

SMILES: CC(C)(C(O)=O)C1=CC=CN=C1Cl

IUPAC: 2-(2-chloropyridin-3-yl)-2-methylpropanoic acid

InChI: InChI=1S/C9H10ClNO2/c1-9(2,8(12)13)6-4-3-5-11-7(6)10/h3-5H,1-2H3,(H,12,13)

Composition: C (54.15%), H (5.05%), Cl (17.76%), N (7.02%), O (16.03%)

Molar Mass: 199.63

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.0400063
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YNCYUAQQSCDCMZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.15
Topological Polar Surface Area	50.19
Polarizability	19.29
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1452561-74-8		$105.92-$1,010.06$105.92$282.46$1,010.06