3-(3-fluoro-4-methoxyphenyl)-3-oxopropanenitrile

3-(3-fluoro-4-methoxyphenyl)-3-oxopropanenitrile

CAS: 898786-96-4

Formula: C10H8FNO2

SMILES: COC1=C(F)C=C(C=C1)C(=O)CC#N

IUPAC: 3-(3-fluoro-4-methoxyphenyl)-3-oxopropanenitrile

InChI: InChI=1S/C10H8FNO2/c1-14-10-3-2-7(6-8(10)11)9(13)4-5-12/h2-3,6H,4H2,1H3

Composition: C (62.18%), H (4.17%), F (9.83%), N (7.25%), O (16.56%)

Molar Mass: 193.177

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	193.053906665
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	REMCCUSJDGHABW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.46
Topological Polar Surface Area	50.09
Polarizability	18
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	898786-96-4		$1,760.00-$3,894.00$1,760.00$2,596.00$3,894.00