tert-butyl 6-(bromomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

tert-butyl 6-(bromomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

CAS: 622867-53-2

Formula: C15H20BrNO2

SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(CBr)=C2

IUPAC: tert-butyl 6-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

InChI: InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-7-6-12-8-11(9-16)4-5-13(12)10-17/h4-5,8H,6-7,9-10H2,1-3H3

Composition: C (55.23%), H (6.18%), Br (24.49%), N (4.29%), O (9.81%)

Molar Mass: 326.234

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	325.067742
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	IZYPQVWVZKITBP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.46
Topological Polar Surface Area	29.54
Polarizability	30.73
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	622867-53-2		$138.38-$753.61$138.38$209.44$753.61