1-[(3-bromo-4-methylphenyl)methyl]pyrrolidine

1-[(3-bromo-4-methylphenyl)methyl]pyrrolidine

Formula: C12H16BrN

SMILES: CC1=C(Br)C=C(CN2CCCC2)C=C1

IUPAC: 1-[(3-bromo-4-methylphenyl)methyl]pyrrolidine

InChI: InChI=1S/C12H16BrN/c1-10-4-5-11(8-12(10)13)9-14-6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3

Composition: C (56.71%), H (6.35%), Br (31.44%), N (5.51%)

Molar Mass: 254.171

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.046613
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DPANSLZHFXREAB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.81
Topological Polar Surface Area	3.24
Polarizability	24.78
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H16BrN		Quote Only