2-[3-(4-bromobenzoyl)phenyl]pyrrolidine

2-[3-(4-bromobenzoyl)phenyl]pyrrolidine

Formula: C17H16BrNO

SMILES: BrC1=CC=C(C=C1)C(=O)C1=CC=CC(=C1)C1CCCN1

IUPAC: 2-[3-(4-bromobenzoyl)phenyl]pyrrolidine

InChI: InChI=1/C17H16BrNO/c18-15-8-6-12(7-9-15)17(20)14-4-1-3-13(11-14)16-5-2-10-19-16/h1,3-4,6-9,11,16,19H,2,5,10H2

Composition: C (61.83%), H (4.88%), Br (24.20%), N (4.24%), O (4.84%)

Molar Mass: 330.225

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	329.041527
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CTDQBCVIWBXHLJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.72
Topological Polar Surface Area	29.1
Polarizability	32.81
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H16BrNO		Quote Only