6-bromo-1,1-dimethyl-2,4-dihydroisoquinolin-3-one

6-bromo-1,1-dimethyl-2,4-dihydroisoquinolin-3-one

CAS: 943750-46-7

Formula: C11H12BrNO

SMILES: CC1(C)NC(=O)CC2=C1C=CC(Br)=C2

IUPAC: 6-bromo-1,1-dimethyl-1,2,3,4-tetrahydroisoquinolin-3-one

InChI: InChI=1S/C11H12BrNO/c1-11(2)9-4-3-8(12)5-7(9)6-10(14)13-11/h3-5H,6H2,1-2H3,(H,13,14)

Composition: C (51.99%), H (4.76%), Br (31.44%), N (5.51%), O (6.30%)

Molar Mass: 254.127

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.010227
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	XXCRZDLMXMERTI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.32
Topological Polar Surface Area	29.1
Polarizability	22.79
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	943750-46-7		$763.90-$3,022.86$763.90$1,246.36$3,022.86