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

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

CAS: 1260644-50-5

Formula: C12H14BrNO2

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

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

InChI: InChI=1/C12H14BrNO2/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 (50.72%), H (4.97%), Br (28.12%), N (4.93%), O (11.26%)

Molar Mass: 284.153

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	283.020792
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YFUPIRKWBYJEDY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.59
Topological Polar Surface Area	38.33
Polarizability	25.65
Ring Count	2
Rotatable Bond Count	3

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	1260644-50-5		$143.75-$2,290.80$143.75$171.35$227.70$342.70$572.70$2,290.80