1-[(4-bromophenyl)methyl]piperazine hydrochloride

1-[(4-bromophenyl)methyl]piperazine hydrochloride

CAS: 510725-48-1

Formula: C11H16BrClN2

SMILES: Cl.BrC1=CC=C(CN2CCNCC2)C=C1

IUPAC: 1-[(4-bromophenyl)methyl]piperazine hydrochloride

InChI: InChI=1S/C11H15BrN2.ClH/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;/h1-4,13H,5-9H2;1H

Composition: C (45.31%), H (5.53%), Br (27.40%), Cl (12.16%), N (9.61%)

Molar Mass: 291.62

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	290.018539
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GBFYODBHQSMYIV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.98
Topological Polar Surface Area	15.27
Polarizability	24.55
Ring Count	2
Rotatable Bond Count	2

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