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2-(3-bromophenyl)azetidine hydrochloride

2-(3-bromophenyl)azetidine hydrochloride

CAS: 1461708-35-9

Formula: C9H11BrClN

SMILES: Cl.BrC1=CC=CC(=C1)C1CCN1

IUPAC: 2-(3-bromophenyl)azetidine hydrochloride

InChI: InChI=1/C9H10BrN.ClH/c10-8-3-1-2-7(6-8)9-4-5-11-9;/h1-3,6,9,11H,4-5H2;1H

Composition: C (43.49%), H (4.46%), Br (32.15%), Cl (14.26%), N (5.64%)

Molar Mass: 248.55

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 246.97634
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey LTPQPMVNKHTADW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.5
Topological Polar Surface Area 12.03
Polarizability 19.37
Ring Count 2
Rotatable Bond Count 1

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