7-bromo-1-methylisoquinoline

7-bromo-1-methylisoquinoline

CAS: 1416713-61-5

Formula: C10H8BrN

SMILES: CC1=C2C=C(Br)C=CC2=CC=N1

IUPAC: 7-bromo-1-methylisoquinoline

InChI: InChI=1S/C10H8BrN/c1-7-10-6-9(11)3-2-8(10)4-5-12-7/h2-6H,1H3

Composition: C (54.08%), H (3.63%), Br (35.98%), N (6.31%)

Molar Mass: 222.085

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	220.984012
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NHTYGDXVFUUOTB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.57
Topological Polar Surface Area	12.89
Polarizability	21.36
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1416713-61-5		$161.41-$1,158.86$161.41$225.72$307.68$448.92$1,158.86