tert-butyl N-(8-bromoisoquinolin-3-yl)carbamate

tert-butyl N-(8-bromoisoquinolin-3-yl)carbamate

CAS: 2386033-74-3

Formula: C14H15BrN2O2

SMILES: CC(C)(C)OC(=O)NC1=CC2=CC=CC(Br)=C2C=N1

IUPAC: tert-butyl N-(8-bromoisoquinolin-3-yl)carbamate

InChI: InChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-12-7-9-5-4-6-11(15)10(9)8-16-12/h4-8H,1-3H3,(H,16,17,18)

Composition: C (52.03%), H (4.68%), Br (24.72%), N (8.67%), O (9.90%)

Molar Mass: 323.19

Atom Count: 34

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	322.031691
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GJWNXKBKMJBTCG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.58
Topological Polar Surface Area	51.22
Polarizability	30.76
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	2386033-74-3		$133.67-$688.51$133.67$239.59$688.51