ethyl 6-bromoisoquinoline-1-carboxylate

ethyl 6-bromoisoquinoline-1-carboxylate

CAS: 1020576-70-8

Formula: C12H10BrNO2

SMILES: CCOC(=O)C1=C2C=CC(Br)=CC2=CC=N1

IUPAC: ethyl 6-bromoisoquinoline-1-carboxylate

InChI: InChI=1S/C12H10BrNO2/c1-2-16-12(15)11-10-4-3-9(13)7-8(10)5-6-14-11/h3-7H,2H2,1H3

Composition: C (51.45%), H (3.60%), Br (28.52%), N (5.00%), O (11.42%)

Molar Mass: 280.121

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	278.989492
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZYTJPPHSTFPCLL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.38
Topological Polar Surface Area	39.19
Polarizability	25.93
Ring Count	2
Rotatable Bond Count	3

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95%	<5 Days	1020576-70-8		$1,879.00-$2,560.00$1,879.00$2,560.00