2-bromo-3-methyl-5H,6H,7H,8H,9H-cyclohepta[b]pyridine

2-bromo-3-methyl-5H,6H,7H,8H,9H-cyclohepta[b]pyridine

CAS: 127890-70-4

Formula: C11H14BrN

SMILES: CC1=C(Br)N=C2CCCCCC2=C1

IUPAC: 2-bromo-3-methyl-5H,6H,7H,8H,9H-cyclohepta[b]pyridine

InChI: InChI=1S/C11H14BrN/c1-8-7-9-5-3-2-4-6-10(9)13-11(8)12/h7H,2-6H2,1H3

Composition: C (55.02%), H (5.88%), Br (33.27%), N (5.83%)

Molar Mass: 240.144

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.030962
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KLVLMNVKRWIBBY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.07
Topological Polar Surface Area	12.89
Polarizability	22.31
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	127890-70-4		$1,500.00-$2,860.00$1,500.00$1,960.00$2,860.00