methyl 2-cyano-4-fluoro-5-methoxybenzoate

methyl 2-cyano-4-fluoro-5-methoxybenzoate

CAS: 1007455-23-3

Formula: C10H8FNO3

SMILES: COC(=O)C1=CC(OC)=C(F)C=C1C#N

IUPAC: methyl 2-cyano-4-fluoro-5-methoxybenzoate

InChI: InChI=1S/C10H8FNO3/c1-14-9-4-7(10(13)15-2)6(5-12)3-8(9)11/h3-4H,1-2H3

Composition: C (57.42%), H (3.86%), F (9.08%), N (6.70%), O (22.95%)

Molar Mass: 209.176

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.048821285
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BCLPGYZAAGVJHL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.48
Topological Polar Surface Area	59.32
Polarizability	18.89
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1007455-23-3		$51.35-$449.02$51.35$63.37$86.31$292.79$449.02