(6-chloropyrazin-2-yl)acetic acid

(6-chloropyrazin-2-yl)acetic acid

CAS: 930798-25-7

Formula: C6H5ClN2O2

SMILES: OC(=O)CC1=NC(Cl)=CN=C1

IUPAC: 2-(6-chloropyrazin-2-yl)acetic acid

InChI: InChI=1S/C6H5ClN2O2/c7-5-3-8-2-4(9-5)1-6(10)11/h2-3H,1H2,(H,10,11)

Composition: C (41.76%), H (2.92%), Cl (20.54%), N (16.23%), O (18.54%)

Molar Mass: 172.57

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.0039551
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	GKCGKFUOTLQOGO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.55
Topological Polar Surface Area	63.08
Polarizability	14.84
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	930798-25-7		$38.34-$1,374.45$38.34$63.58$136.51$682.55$1,374.45