Text Search
Structure Search

2-(3-bromophenyl)-1-(pyrrolidin-1-yl)ethanone

2-(3-bromophenyl)-1-(pyrrolidin-1-yl)ethanone

CAS: 951884-73-4

Formula: C12H14BrNO

SMILES: BrC1=CC=CC(CC(=O)N2CCCC2)=C1

IUPAC: 2-(3-bromophenyl)-1-(pyrrolidin-1-yl)ethan-1-one

InChI: InChI=1S/C12H14BrNO/c13-11-5-3-4-10(8-11)9-12(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7,9H2

Composition: C (53.75%), H (5.26%), Br (29.80%), N (5.22%), O (5.97%)

Molar Mass: 268.154

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 267.025877
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey FAWHDSQLJDVROW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.15
Topological Polar Surface Area 20.31
Polarizability 24.61
Ring Count 2
Rotatable Bond Count 2

Suppliers

No suppliers are currently stocking this item.