3-(4-bromophenyl)azetidin-3-amine dihydrochloride

3-(4-bromophenyl)azetidin-3-amine dihydrochloride

CAS: 1384264-75-8

Formula: C9H13BrCl2N2

SMILES: Cl.Cl.NC1(CNC1)C1=CC=C(Br)C=C1

IUPAC: 3-(4-bromophenyl)azetidin-3-amine dihydrochloride

InChI: InChI=1S/C9H11BrN2.2ClH/c10-8-3-1-7(2-4-8)9(11)5-12-6-9;;/h1-4,12H,5-6,11H2;2*1H

Composition: C (36.03%), H (4.37%), Br (26.63%), Cl (23.63%), N (9.34%)

Molar Mass: 300.02

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	297.963917
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KRKOCZLAJJLVEZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.47
Topological Polar Surface Area	38.05
Polarizability	20.9
Ring Count	2
Rotatable Bond Count	1

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