3,5-dihydro-1H-2,4-benzodioxepin-7-ylhydrazine hydrochloride

3,5-dihydro-1H-2,4-benzodioxepin-7-ylhydrazine hydrochloride

CAS: 1303994-02-6

Formula: C9H13ClN2O2

SMILES: Cl.NNC1=CC2=C(COCOC2)C=C1

IUPAC: (3,5-dihydro-1H-2,4-benzodioxepin-7-yl)hydrazine hydrochloride

InChI: InChI=1S/C9H12N2O2.ClH/c10-11-9-2-1-7-4-12-6-13-5-8(7)3-9;/h1-3,11H,4-6,10H2;1H

Composition: C (49.89%), H (6.05%), Cl (16.36%), N (12.93%), O (14.77%)

Molar Mass: 216.67

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.0665554
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UQONAWOKMYEQMW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.74
Topological Polar Surface Area	56.51
Polarizability	19.06
Ring Count	2
Rotatable Bond Count	1

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