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53913-82-9

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Basic Information
CAS No.: 53913-82-9
Name: Azetidine, 3-bromo-, hydrochloride
Molecular Structure:
Molecular Structure of 53913-82-9 (Azetidine, 3-bromo-, hydrochloride)
Formula: C3H7BrClN
Molecular Weight: 170.94504
Synonyms: Azetidine,3-bromo-, hydrochloride (9CI);
PSA: 12.03000
LogP: 1.48390
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Specification

The Azetidine, 3-bromo-,hydrochloride (1:1), with the CAS registry number 53913-82-9, is also known as Azetidine,3-bromo-,hydrochloride. This chemical's molecular formula is C3H7BrClN and molecular weight is 170.94504. Its IUPAC name is called 3-bromoazetidine hydrochloride.

Physical properties of Azetidine, 3-bromo-,hydrochloride (1:1): (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 0; (4)Exact Mass: 170.94504; (5)MonoIsotopic Mass: 170.94504; (6)Topological Polar Surface Area: 12; (7)Heavy Atom Count: 6; (8)Formal Charge: 0; (9)Complexity: 33.9; (10)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(CN1)Br.Cl
(2)InChI: InChI=1S/C3H6BrN.ClH/c4-3-1-5-2-3;/h3,5H,1-2H2;1H
(3)InChIKey: JYMNDWAQPRGBIA-UHFFFAOYSA-N