2-(4-bromo-2-methoxyphenyl)pyrrolidine

2-(4-bromo-2-methoxyphenyl)pyrrolidine

CAS: 1260800-76-7

Formula: C11H14BrNO

SMILES: COC1=C(C=CC(Br)=C1)C1CCCN1

IUPAC: 2-(4-bromo-2-methoxyphenyl)pyrrolidine

InChI: InChI=1/C11H14BrNO/c1-14-11-7-8(12)4-5-9(11)10-3-2-6-13-10/h4-5,7,10,13H,2-3,6H2,1H3

Composition: C (51.58%), H (5.51%), Br (31.20%), N (5.47%), O (6.25%)

Molar Mass: 256.143

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	255.025877
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KONXRTIVMZBPHW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.6
Topological Polar Surface Area	21.26
Polarizability	23.75
Ring Count	2
Rotatable Bond Count	2

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