3-bromo-1-phenylpyrrolidin-2-one

3-bromo-1-phenylpyrrolidin-2-one

CAS: 77868-83-8

Formula: C10H10BrNO

SMILES: BrC1CCN(C1=O)C1=CC=CC=C1

IUPAC: 3-bromo-1-phenylpyrrolidin-2-one

InChI: InChI=1/C10H10BrNO/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2

Composition: C (50.02%), H (4.20%), Br (33.28%), N (5.83%), O (6.66%)

Molar Mass: 240.1

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	238.994577
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OXRJWDQGHVJQAU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.42
Topological Polar Surface Area	20.31
Polarizability	20.88
Ring Count	2
Rotatable Bond Count	1

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Kinentia Biosciences LLC

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