6-bromo-3H-spiro[1-benzopyran-2,4'-piperidin]-4-one hydrochloride

6-bromo-3H-spiro[1-benzopyran-2,4'-piperidin]-4-one hydrochloride

CAS: 921760-46-5

Formula: C13H15BrClNO2

SMILES: Cl.BrC1=CC=C2OC3(CCNCC3)CC(=O)C2=C1

IUPAC: 6-bromo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidin]-4-one hydrochloride

InChI: InChI=1S/C13H14BrNO2.ClH/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13;/h1-2,7,15H,3-6,8H2;1H

Composition: C (46.94%), H (4.55%), Br (24.02%), Cl (10.66%), N (4.21%), O (9.62%)

Molar Mass: 332.62

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	330.997469
Formal Charge	0
FSP3	0.46
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ITHQWBXTVUNUDX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.73
Topological Polar Surface Area	38.33
Polarizability	26.81
Ring Count	3
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	921760-46-5		$146.28$146.28