methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

CAS: 2007908-42-9

Formula: C11H13ClFNO2

SMILES: Cl.COC(=O)C1NCCC2=C1C=CC(F)=C2

IUPAC: methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride

InChI: InChI=1/C11H12FNO2.ClH/c1-15-11(14)10-9-3-2-8(12)6-7(9)4-5-13-10;/h2-3,6,10,13H,4-5H2,1H3;1H

Composition: C (53.78%), H (5.33%), Cl (14.43%), F (7.73%), N (5.70%), O (13.02%)

Molar Mass: 245.68

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	245.0618845
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CUONHCFNFRTXAO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.43
Topological Polar Surface Area	38.33
Polarizability	20.71
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2007908-42-9		$325.34-$713.73$325.34$505.66$713.73