AC1MIHI1 structure

AC1MIHI1

6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one;hydrochloride

Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-, monohydrochloride|6-Amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one--hydrogen chloride (1/1)|6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one hydrochloride

CAS: 57462-97-2
Molecular Formula C12H16Cl2N2O4
Molecular Weight 322.0487 g/mol
LogP 0.8111
Topological Polar Surface Area 96.02 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 322.0487
Monoisotopic Mass 322.0487
Heavy Atoms 20
Complexity 512.4758

Chemical Identifiers

CAS Number 57462-97-2
SMILES CC1C(=O)N(C2=C(O1)C(=CC(=C2)N)Cl)CC(CO)O.Cl

Product Overview

AC1MIHI1 (CAS 57462-97-2), with molecular formula C12H16Cl2N2O4 and molecular weight 322.0487 g/mol. IUPAC: 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one;hydrochloride.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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