1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidine

1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidine

Formula: C12H16BrNO

SMILES: COC1=CC(CN2CCCC2)=C(Br)C=C1

IUPAC: 1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidine

InChI: InChI=1S/C12H16BrNO/c1-15-11-4-5-12(13)10(8-11)9-14-6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3

Composition: C (53.35%), H (5.97%), Br (29.58%), N (5.18%), O (5.92%)

Molar Mass: 270.17

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.041527
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RHWIVDCYXFGLCF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.23
Topological Polar Surface Area	12.47
Polarizability	25.57
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H16BrNO		Quote Only