ethyl 6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

ethyl 6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

CAS: 1260638-15-0

Formula: C12H14ClNO2

SMILES: CCOC(=O)C1NCCC2=CC(Cl)=CC=C12

IUPAC: ethyl 6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

InChI: InChI=1/C12H14ClNO2/c1-2-16-12(15)11-10-4-3-9(13)7-8(10)5-6-14-11/h3-4,7,11,14H,2,5-6H2,1H3

Composition: C (60.13%), H (5.89%), Cl (14.79%), N (5.84%), O (13.35%)

Molar Mass: 239.7

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	239.0713064
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PWXIZZPSVKEDPJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.77
Topological Polar Surface Area	38.33
Polarizability	24.73
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	1260638-15-0		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70