7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride

7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride

CAS: 1181458-57-0

Formula: C9H11Cl2NO

SMILES: Cl.ClC1=CC2=C(OCCNC2)C=C1

IUPAC: 7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride

InChI: InChI=1S/C9H10ClNO.ClH/c10-8-1-2-9-7(5-8)6-11-3-4-12-9;/h1-2,5,11H,3-4,6H2;1H

Composition: C (49.12%), H (5.04%), Cl (32.21%), N (6.36%), O (7.27%)

Molar Mass: 220.09

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.0217694
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZUROSDIVHGLHRJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.6
Topological Polar Surface Area	21.26
Polarizability	19.18
Ring Count	2
Rotatable Bond Count	0

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95%	<4 Days	1181458-57-0		$80.50-$1,550.20$80.50$151.80$495.65$645.15$1,550.20